2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-
- Formula: C20H30O
- Molecular weight: 286.4516
- IUPAC Standard InChI: InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3
- IUPAC Standard InChIKey: ZRVDANDJSTYELM-UHFFFAOYSA-N
- CAS Registry Number: 511-15-9
- 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. - Stereoisomers:
- Other names: Podocarpa-8,11,13-trien-13-ol, 14-isopropyl-; Totarol; TOTAROL (B637832K176); (+)-Totarol; trans-Totarol; cis-Totarol
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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 | HP-5 | OV-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 130 0C 5 0C/min -> 240 0C 15 0C/min -> 320 0C (10 min) | 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C | 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) |
| I | 2302. | 2296. | 2259. |
| Reference | Vichi, Aumatell, et al., 2008 | Hafez and Abdel-Salam, 2004 | da Silva, Pedro, et al., 2000 |
| 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.
Vichi, Aumatell, et al., 2008
Vichi, S.; Aumatell, M.R.; Buxaderas, S.; Lopez-Tamames, E.,
Assessment of some diterpenoids in commercial distilled gin,
Anal. Chim. Acta, 2008, 628, 2, 222-229, https://doi.org/10.1016/j.aca.2008.09.005
. [all data]
Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A.,
chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt,
Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]
da Silva, Pedro, et al., 2000
da Silva, J.A.; Pedro, L.G.; Santos, P.A.G.; Figueiredo, A.C.; Barroso, J.G.; Tenreiro, R.P.; Ribeiro, C.A.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Essential oils from seven populations of Juniperus brevifolia (Seub.) Antoine, an endemic species of the Azores,
Flavour Fragr. J., 2000, 15, 1, 31-39, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<31::AID-FFJ862>3.0.CO;2-C
. [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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