Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, [4aS-(4aα,4bβ,7α,8aα)]-
- Formula: C20H32
- Molecular weight: 272.4681
- IUPAC Standard InChI: InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15?,17?,19-,20-/m1/s1
- IUPAC Standard InChIKey: BAIWMJSLFJWAQP-LYBGUNNDSA-N
- CAS Registry Number: 1686-67-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Rimuen; Rimuene; 5,15-Rosadiene; Rosa-5,15-diene, (13S)-; Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-1,1,4b,7-tetramethyl-, (4aS,4bR,7S,8aR)-; (4aS,4bR,7S,8aR)-1,1,4b,7-Tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthrene; 15372-66-4; Rosa-5,15-diene; Rosadiene
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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. |
|---|---|
| Origin | A. MCCORMICK GC-MS UNIT, UNIVERSITY OF GLASGOW |
| NIST MS number | 13163 |
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 | 170. | 1884. | Perry and Weavers, 1984 | |
| Capillary | SE-30 | 190. | 1906. | Perry and Weavers, 1984 | |
| Capillary | SE-30 | 170. | 1914. | Perry and Weavers, 1984 | |
| Capillary | SE-30 | 190. | 1936. | Perry and Weavers, 1984 | |
| Packed | SE-30 | 170. | 1886. | Carman and Sutherland, 1979 | Chromosorb G AW DMCS; Column length: 2. m |
| Packed | Apiezon L | 170. | 1927. | Carman and Sutherland, 1979 | Chromosorb G AW DMCS; Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1930. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | SE-54 | 1894. | Adams, 2000, 2 | 30. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | SE-54 | 1930. | Adams, 2000, 2 | 30. m/0.26 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1930. | Adams, 2000, 3 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1930. | 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 |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 170. | 2156. | Perry and Weavers, 1984 | |
| Capillary | Carbowax 20M | 190. | 2187. | Perry and Weavers, 1984 | |
| Capillary | Carbowax 20M | 170. | 2200. | Perry and Weavers, 1984 | |
| Capillary | Carbowax 20M | 190. | 2233. | Perry and Weavers, 1984 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1894. | Demetzos, Angelopoulou, et al., 2002 | 30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1901.9 | 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) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DP-5 | 1926. | Vijayakumar, Duraipandiyan, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min |
| Capillary | DB-5MS | 1953. | Marongiu, Porcedda, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1894. | Mockute, Nivinskiene, et al., 2003 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax FSP | 2232. | Tasdemir, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
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.
Perry and Weavers, 1984
Perry, N.B.; Weavers, R.T.,
Kovats indices of diterpene hydrocarbons on fused-silica capillary columns,
J. Chromatogr., 1984, 284, 478-481, https://doi.org/10.1016/S0021-9673(01)87850-X
. [all data]
Carman and Sutherland, 1979
Carman, R.M.; Sutherland, M.D.,
Cupressene and other diterpenes of Cupressus species,
Aust. J. Chem., 1979, 32, 5, 1131-1142, https://doi.org/10.1071/CH9791131
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 2000, 3
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Vijayakumar, Duraipandiyan, et al., 2012
Vijayakumar, A.; Duraipandiyan, V.; Jeyarai, B.; Agastian, P.; Raj, M.K.; Ignacimunthu, S.,
Phytochemical analysis and in vitro antimicrobial activity of Illicium griffithii Hook f. Thoms extracts,
Asian Pacific J. Tropical Diseases, 2012, 2, 3, 190-199, https://doi.org/10.1016/S2222-1808(12)60045-0
. [all data]
Marongiu, Porcedda, et al., 2001
Marongiu, B.; Porcedda, S.; Porta, G.D.; Reverchon, E.,
Extraction and isolation of Salvia desoleana and Mentha spicata subsp. insularis essential oils by supercritical CO2,
Flavour Fragr. J., 2001, 16, 5, 384-388, https://doi.org/10.1002/ffj.1021
. [all data]
Mockute, Nivinskiene, et al., 2003
Mockute, D.; Nivinskiene, O.; Bernotiene, G.; Butkiene, R.,
The cis-thujone chemotype of Salvia officinalis L. essential oils,
Chemija, 2003, 14, 4, 216-220. [all data]
Tasdemir, Demirci, et al., 2003
Tasdemir, D.; Demirci, B.; Demirci, F.; Dönmez, A.A.; Baser, K.H.C.; Rüedi, P.,
Analysis of the Volatile Components of Five Turkish Rhododendron Species by Headspace Solid-Phase Microextraction and GC-MS (HS-SPME-GC-MS),
Z. Naturforsch., 2003, 58c, 797-803. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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