1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1α,2α,3aβ,4α,5α,7aβ,8S*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: XBWACJDEQIZTPR-UHFFFAOYSA-N
- CAS Registry Number: 22469-52-9
- 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. - Species with the same structure:
- Other names: (+)-Cyclosativene; Cyclosativene; 1,2α,4-Methenoindan, 3aβ,4β,5,6,7,7a-hexahydro-5α-isopropyl-1β,7aβ-dimethyl-; (1S,2S,3aR,4R,5S,7aS,8R)-5-Isopropyl-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)indene; 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, (1S,2S,3aR,4R,5S,7aS,8R)-; Cycloisosativene; (+)-Cycloisosativene
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5 | DB-5 MS | HP-5 MS | DB-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Hydrogen | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 70. | 35. | 50. | 60. | 60. |
Tend (C) | 290. | 220. | 220. | 280. | 240. |
Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 40. | 70. | |||
I | 1374. | 1358. | 1364. | 1362. | 1370. |
Reference | Radulovic, Dordevic, et al., 2010 | El-Massry, El-Ghorab, et al., 2009 | Shimizu, Imayoshi, et al., 2009 | Baziou, Couladis, et al., 2008 | Andrade, Oliveira, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | Col-Elite 5MS | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | Helium | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.25 | 0.26 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 30. | 60. | 50. |
Tend (C) | 240. | 290. | 246. | 290. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 10. | ||||
I | 1361. | 1361. | 1375. | 1361. | 1366. |
Reference | Bos, Woerdenbag, et al., 2007 | Elfami, Bos, et al., 2007 | Gudaityte and Venskutonis R.P., 2007 | Elfami, Komar, et al., 2006 | Havlik, Kokoska, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | DB-5 | DB-5 | DB-1 |
Column length (m) | 30. | 25. | 30. | 25. | 30. |
Carrier gas | He | He | He | Nitrogen | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 40. | 60. | 50. |
Tend (C) | 260. | 240. | 260. | 240. | 200. |
Heat rate (K/min) | 2. | 3. | 2. | 3. | 5. |
Initial hold (min) | 5. | 5. | |||
Final hold (min) | 20. | 7. | 20. | ||
I | 1362. | 1366. | 1362. | 1365. | 1373. |
Reference | Senatore, Landolfi, et al., 2006 | Duarte, Figueira, et al., 2005 | Senatore, Apostolides Arnold, et al., 2005 | JAvidnia, Mojab, et al., 2004 | Fekam Boyom, Ngouana, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | DB-5 | 5 % Phenyl methyl siloxane | DB-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 75. | 60. |
Tend (C) | 280. | 250. | 280. | 200. | 280. |
Heat rate (K/min) | 4. | 5. | 3. | 3. | 3. |
Initial hold (min) | 10. | 30. | 4. | ||
Final hold (min) | 40. | 30. | 8. | ||
I | 1368. | 1368. | 1364. | 1371. | 1373. |
Reference | Pino, Marbot, et al., 2003 | Yassa, Akhani, et al., 2003 | Caredda, Marongiu, et al., 2002 | Cicció and Gómez-Laurito, 2002 | Congiu, Falconieri, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | DB-5 | DB-5 | HP-5 | RTX-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 60. | 60. | 60. | 60. |
Tend (C) | 280. | 240. | 240. | 220. | 300. |
Heat rate (K/min) | 15. | 3. | 3. | 5. | 4. |
Initial hold (min) | 2. | 10. | |||
Final hold (min) | 10. | ||||
I | 1384. | 1370. | 1367. | 1370. | 1373. |
Reference | Damon, Hernández, et al., 2002 | Flamini, Ertugrul, et al., 2002 | Kobaisy, Tellez, et al., 2002 | Gallori, Flamini, et al., 2001 | Kalemba, Marschall, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5MS | DB-1 | DB-1 | OV-3 |
Column length (m) | 30. | 30. | 60. | 60. | 150. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.66 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 60. | 60. | 50. | 50. | 20. |
Tend (C) | 240. | 240. | 230. | 230. | 170. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 1. |
Initial hold (min) | |||||
Final hold (min) | 10. | 10. | 120. | ||
I | 1367. | 1370. | 1367. | 1367. | 1380. |
Reference | Tellez M., Estell R., et al., 2001 | Zoghbi, Andrade, et al., 1999 | Binder, Benson, et al., 1990 | Binder, Turner, et al., 1990 | Buttery and Ling, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Radulovic, Dordevic, et al., 2010
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Shimizu, Imayoshi, et al., 2009
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Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
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Baziou, Couladis, et al., 2008
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Composition and antioxidant activity of the essential oil of Hypericum perfoliatum from Greece, 2008, retrieved from http://www.amapseec.org/cmapseec.1/Papers/papp065.htm. [all data]
Andrade, Oliveira, et al., 2007
Andrade, E.H.A.; Oliveira, J.; Zoghbi, M.G.B.,
Volatiles of Anaxagorea dolichocarpa Spreng. Sandw. and Annona densicoma Mart. Growing Wild in the State of Pará, Brazil,
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Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
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Elfami, Bos, et al., 2007
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Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Gudaityte and Venskutonis R.P., 2007
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Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment,
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Elfami, Komar, et al., 2006
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Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Havlik, Kokoska, et al., 2006
Havlik, J.; Kokoska, L.; Vasickova, S.; Valterova, I.,
Chemical composition of essential oil from the seeds of Nigella arvensis L. and assessment of its actimicrobial activity,
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Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M.,
Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily,
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Duarte, Figueira, et al., 2005
Duarte, M.C.T.; Figueira, G.M.; Sartoratto, A.; Rehder, V.L.G.; Delarmelina, C.,
Anti-Candida activity of Brazilian medicinal plants,
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Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M.,
Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon,
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JAvidnia, Mojab, et al., 2004
JAvidnia, K.; Mojab, F.; Mojahedi, S.A.,
Chemical constituents of the essential oil of Stachys lavandulifolia Vahl from Iran,
Iranian J. Pharm. Res., 2004, 3, 61-63. [all data]
Fekam Boyom, Ngouana, et al., 2003
Fekam Boyom, F.; Ngouana, V.; Amvam Zollo, P.H.; Menut, C.; Bessiere, J.M.; Gut, J.; Rosenthal, P.J.,
Composition and anti-plasmodial activities of essential oils from some Cameroonian medicinal plants,
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Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
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Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
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Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C.,
Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil,
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Cicció and Gómez-Laurito, 2002
Cicció, J.F.; Gómez-Laurito, J.,
Volatile constituents of the leaves of Siparuna thecaphora (Siparunaceae) from Turrialba, Costa Rica,
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Congiu, Falconieri, et al., 2002
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Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO2,
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Damon, Hernández, et al., 2002
Damon, A.A.; Hernández, A.S.; Rojas, J.C.,
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Flamini, Ertugrul, et al., 2002
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Volatile constituents of two endemic Centaurea species from Turkey: C. pseudoscabiosa subsp. pseudoscabiosa and C. hadimensis,
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Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O.,
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Gallori, Flamini, et al., 2001
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Kalemba, Marschall, et al., 2001
Kalemba, D.; Marschall, H.; Bradesi, P.,
Constituents of the essential oil of Solidago gigantea Ait. (giant goldenrod),
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Tellez M., Estell R., et al., 2001
Tellez M.; Estell R.; Fredrickson E.; Powell J.; Wedge D.; Schrader K.; Kobaisy M.,
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Zoghbi, Andrade, et al., 1999
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Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
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Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Comparison of yellow starthistle volatiles from different plant parts,
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Buttery and Ling, 1985
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Volatile components of corn roots: possible insect attractants,
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. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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