cis-Thujopsene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12?,14-,15?/m0/s1
- IUPAC Standard InChIKey: WXQGPFZDVCRBME-BLZCZZARSA-N
- CAS Registry Number: 470-40-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Thujopsene; Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, [1aS-(1aα,4aβ,8aR*)]-; Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)-; Sesquichamene; Thujopsen; Widdrene; cis-(-)-Thujopsene; (Z)-Thujopsene; (1aS,4aS,8aS)-2,4a,8,8-Tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene; 2,4a,8,8-Tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene; [1aS-(1aα,4aβ,8aR*)]-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 9253 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1446.8 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Packed | SE-30 | 130. | 1430.5 | Andersen and Falcone, 1969 | He, Chromosorb G |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1431. | Adams, Morris, et al., 2005 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1429. | Adams and Nguyen, 2005 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | SE-54 | 1429. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | SE-54 | 1429. | Adams, 2000, 2 | 30. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1429. | Adams, 2000, 3 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1429. | Adams, 1999 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 132. | 1643. | Andersen and Falcone, 1969 | |
| Packed | Carbowax 20M | 165. | 1684. | Andersen and Falcone, 1969 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1430. | Benkaci-Ali, Baaliouamer, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min |
| Capillary | ZB-5 | 1424. | Simoniatto, Bonani, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | BP-1 | 1435. | Duquesnoy, Dinh, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-1 | 1431. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | HP-5MS | 1449. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 1426. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1431. | Bougatsos, Meyer, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1426. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 1426. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 1428. | Isidorov, Zenkevich, et al., 1998 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 50. C; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1441.5 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | BPX-5 | 1456. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
| Capillary | 5 % Phenyl methyl siloxane | 1431. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-52 | 1441. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1618. | Duquesnoy, Dinh, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-20 | 1620. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Carbowax 20M | 1628. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1410. | Cui, Yang, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 | 1431. | Ho, Wang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | CP-Sil 5 CB | 1445. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | HP-5 MS | 1433. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
| Capillary | HP-5 MS | 1429. | Adams, Beauchamp, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 3. K/min, 230. C @ 10. min |
| Capillary | SE-30 | 1429. | Loizzo, Tundis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 250. C @ 10. min |
| Capillary | HP-5 | 1426. | Loizzo, Tundis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1416. | Miyazawa and Tamura, 2007 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1428. | Askari and Sefidkon, 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 260. C |
| Capillary | DB-5 | 1432. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-5 | 1435. | Navaei and Mirza, 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 250. C |
| Capillary | DB-5 | 1426. | Senatore, Landolfi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | DB-5 | 1428. | Askari and Sefidkon, 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 210. C |
| Capillary | DB-1 | 1441. | Cégiéla-Carlioz, Bessière, et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5MS | 1427. | Ghasemi Y., Faridi P., et al., 2005 | He, 50. C @ 3. min, 3. K/min, 250. C @ 10. min; Column length: 25. m; Column diameter: 0.25 mm |
| Capillary | DB-5 | 1426. | Senatore, Apostolides Arnold, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
| Capillary | DB-5 | 1438. | Krauze-Baranowska, Mardarowicz, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 3. K/min, 280. C @ 15. min |
| Capillary | DB-5 | 1440. | Krauze-Baranowska, Mardarowicz, et al., 2002, 2 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 4. K/min, 280. C @ 15. min |
| Capillary | DB-5 | 1424. | Porta, Porcedda, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 60. min |
| Capillary | SPB-5 | 1441. | Doneanu and Anitescu, 1998 | 50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1430. | El-Sakhawy, El-Tantawy, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SE-30 | 1425. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | SE-30 | 1425. | Ramaswami, Briscese, et al., 1986 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | DB-1 | 1425. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-5 | 1431. | de Morais, Oliveira, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C 3 0C/min -> 240 0C 10 0C/min -> 280 0C (10 min) |
| Capillary | DB-5 | 1425. | Pontes, Silva, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 280 0C |
| Capillary | DB-5 | 1441. | Courtois, Paine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
| Capillary | SE-52 | 1431. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | HP-5MS | 1450. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | HP-5MS | 1450. | Demyttenaere, Moriña, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (2min) => 10C/min => 200C => 15C/min => 250C (5min) |
| Capillary | OV-1 | 1421. | Hafez and Abdel-Salam, 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C |
| Capillary | SE-30 | 1435. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1435. | Zenkevich, 1996 | Program: not specified |
| Capillary | OV-101 | 1451. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1609. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | CP-Wax 52CB | 1606. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | CP-Wax 52CB | 1606. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | Supelcowax-10 | 1626. | Ramaswami, Briscese, et al., 1988 | 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
| Capillary | Supelcowax-10 | 1626. | Ramaswami, Briscese, et al., 1986 | He, 50. C @ 2. min, 4. K/min, 240. C @ 10. min; Column length: 30. m |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PEG-20M Innowax | 1625. | Wang, Tian, et al., 2013 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) |
| Capillary | HP Innowax FSP | 1644. | Wedge, Klun, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) |
| Capillary | HP-Innowax FSC | 1645. | Sezik E., Kocakulak E., et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1660. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax | 1644. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
| Capillary | Innowax FSC | 1645. | Tunalier, Kirimer, et al., 2002 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1660. | Shibamoto, 1987 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
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Andersen and Falcone, 1969
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The identification of sesquiterpene hydrocarbons from gas-liquid chromatography retention data,
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Adams, Morris, et al., 2005
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Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
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Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS),
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Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
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Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin,
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Notes
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