1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3aα,3bβ,4β,7α,7aS*)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14?,15?/m0/s1
- IUPAC Standard InChIKey: FSRZGYRCMPZNJF-PBWBXLIUSA-N
- CAS Registry Number: 13744-15-5
- 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: 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3aα,3bα,4,5,6,7-octahydro-4α-isopropyl-7β-methyl-3-methylene-; β-Cubebene; β-Cuvebene; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aα,3bα,4α,7β,7aR*)-; 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-; beta cubebene
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Kovats' RI, non-polar column, isothermal
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 |
|---|---|---|---|---|
| Active phase | EC-1 | EC-1 | DB-1 | OV-101 |
| Column length (m) | 30. | 30. | 28. | |
| Carrier gas | He | |||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Temperature (C) | 130. | 150. | 150. | 130. |
| I | 1389. | 1400. | 1385. | 1392. |
| Reference | Szafranek, Chrapkowska, et al., 2005 | Szafranek, Chrapkowska, et al., 2005 | Viswanathan, Maridass, et al., 2002 | Clarke, Perry, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Szafranek, Chrapkowska, et al., 2005
Szafranek, B.; Chrapkowska, K.; Pawinska, M.; Szafranek, J.,
Analysis of leaf surface sesquiterpenes in potato varieties,
J. Agric. Food Chem., 2005, 53, 8, 2817-2822, https://doi.org/10.1021/jf040437g
. [all data]
Viswanathan, Maridass, et al., 2002
Viswanathan, M.B.; Maridass, M.; Thangadurai, D.; Ramesh, N.,
Chemical constituents of the fruit essential oil of Diospyros malabarica (Desr.) Kostel (Ebenaceae),
Acta Pharmaceutica, 2002, 52, 207-211. [all data]
Clarke, Perry, et al., 1994
Clarke, D.B.; Perry, N.B.; Weavers, R.T.,
Foliage Oil Terpenes of Prumnopitys ferruginea (D. Don) Laubenf. Variation in Acorenone Levels,
J. Essnt. Oil Res., 1994, 6, 6, 549-554, https://doi.org/10.1080/10412905.1994.9699344
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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