9-epi-β-Caryophyllene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1
- IUPAC Standard InChIKey: NPNUFJAVOOONJE-QWAJQTJBSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-
- (1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
- Caryophyllene
- cis-Caryophyllene
- (+)(E)-Caryophyllene
- 2-epi-(E)- β-Caryophyllene
- Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-deriv.
- (E)-Caryophyllene
- trans-β-Caryophyllene
- cis-Caryophyllene
- 2-epi-(E)-β-Caryophyllene
- β-cis-Caryophyllene
- (E)-β-Caryophyllene
- Isocaryophyllene
- 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 |
|---|---|---|
| Active phase | DB-5 | DB-5 MS |
| Column length (m) | 30. | 60. |
| Carrier gas | Helium | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. |
| Tend (C) | 240. | 250. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | 15. | |
| Final hold (min) | 15. | |
| I | 1467. | 1471. |
| Reference | Karimi, Farmani, et al., 2011 | Mesa-Arango, Betancur-Galvis, et al., 2010 |
| Comment | 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.
Karimi, Farmani, et al., 2011
Karimi, H.; Farmani, A.; Nourizadeh, H.,
A performance comparison of modern statistical technique for molecular descriptor selection and retention prediction of essential oil from leaves,
Amer. J. Sci. Res., 2011, 38, 36-40. [all data]
Mesa-Arango, Betancur-Galvis, et al., 2010
Mesa-Arango, A.C.; Betancur-Galvis, L.; Montiel, J.; Bueno, J.G.; Baena, A.; Duran, D.C.; Martinez, J.R.; Stashenko, E.E.,
Antifungal activity and chemical composition of the essential oils of Lippia alba (Miller) N.E. Brown grown in different regions of Colombia,
J. Essential Oil Res., 2010, 22, 6, 568-574, https://doi.org/10.1080/10412905.2010.9700402
. [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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