1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S-(E,Z,E,E)]-
- Formula: C20H32
- Molecular weight: 272.4681
- IUPAC Standard InChI: InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10-,19-11-/t20-/m0/s1
- IUPAC Standard InChIKey: DMHADBQKVWXPPM-ZTAOLZRRSA-N
- CAS Registry Number: 1898-13-1
- 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: 1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl-, (+)-; (S,1E,3Z,6E,10E)-14-Isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene; Cembrene; Thunbergen; Thunbergene; (1S,2E,7E,11E)-2,4(18),7,11-Cembratraene; 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (1E,3Z,6E,10E,14S)-
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Normal alkane RI, non-polar column, custom temperature program
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 |
|---|---|---|---|
| Active phase | DB-5 | DB-5 | SE-54 |
| Column length (m) | 30. | 10. | |
| Carrier gas | He | N2 | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | ||
| Program | 40C(1min) => 9C/min => 130C => 2C/min => 230C | not specified | 150C (1min) => 6C/min => 230C (5min) => 40C/min => 280C (19min) |
| I | 1964. | 1926. | 1958. |
| Reference | Hamm, Bleton, et al., 2005 | Petrakis, Tsitsimpikou, et al., 2001 | Esteban, Martínez-Castro, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A.,
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples,
Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025
. [all data]
Petrakis, Tsitsimpikou, et al., 2001
Petrakis, P.V.; Tsitsimpikou, C.; Tzakou, O.; Couladis, M.; Vagias, C.; Roussis, V.,
Needle volatiles from five Pinus species growing in Greece,
Flavour Fragr. J., 2001, 16, 4, 249-252, https://doi.org/10.1002/ffj.990
. [all data]
Esteban, Martínez-Castro, et al., 1999
Esteban, J.; Martínez-Castro, I.; Vargas, P.; Sanz, J.,
Chemosystematic study on leaf volatile compounds of Saxifraga L. series Ceratophyllae (Saxifragaceae),
Biochem. Syst. Ecol., 1999, 27, 3, 255-268, https://doi.org/10.1016/S0305-1978(98)00082-9
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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