Ferruginol
- Formula: C20H30O
- Molecular weight: 286.4516
- IUPAC Standard InChI: InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m1/s1
- IUPAC Standard InChIKey: QXNWVJOHUAQHLM-QUCCMNQESA-N
- CAS Registry Number: 514-62-5
- 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: trans-Ferruginol; Podocarpa-8,11,13-trien-12-ol, 13-isopropyl-; (4bS,8aS)-2-Isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-ol; Abieta-9(11),8(14),12-trien-12-ol
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- Other data available:
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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 | DB-5 | HP-5 MS | HP-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | Helium | Helium | N2 | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.53 |
| Tstart (C) | 50. | 50. | 50. | 60. | 40. |
| Tend (C) | 250. | 230. | 240. | 280. | 280. |
| Heat rate (K/min) | 2. | 3. | 5. | 3. | 4. |
| Initial hold (min) | 10. | 1. | |||
| Final hold (min) | 10. | 4. | 30. | ||
| I | 2332. | 2325. | 2325. | 2297. | 2317. |
| Reference | Ho, Wang, et al., 2010 | Adams, Beauchamp, et al., 2007 | Cheraif, Ben Jannet, et al., 2007 | Marongiu, Porcedda, et al., 2003 | Velickovic, Randjelovic, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-5 |
| Column length (m) | 25. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.53 |
| Tstart (C) | 40. |
| Tend (C) | 280. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 2332. |
| Reference | Velickovic, Randjelovic, et al., 2003 |
| Comment | 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.
Ho, Wang, et al., 2010
Ho, C.-L.; Wang, E.I.-C.; Yu, H.-T.; Yu, H.-M.; Su, Y.-C.,
Composition amd antioxidant activities of essential oils of different tissues from Cryptomeria japonica D. Don,
Quarterly J. Chin. Forestry, 2010, 32, 1, 63-76. [all data]
Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247
. [all data]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [all data]
Marongiu, Porcedda, et al., 2003
Marongiu, B.; Porcedda, S.; Caredda, A.; de Gioannis, B.; Vargiu, L.; la Colla, P.,
Extraction of Juniperus oxycedrus ssp. Oxycedrus essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2003, 18, 5, 390-397, https://doi.org/10.1002/ffj.1224
. [all data]
Velickovic, Randjelovic, et al., 2003
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Velickovic, A.S.; Smelcerovic, A.A.,
Chemical constituents and antimicrobial activity of the ethanol extracts obtained from the flower, leaf, and stem of Salvia officinalis L.,
J. Serb. Chem. Soc., 2003, 68, 1, 17-24, https://doi.org/10.2298/JSC0301017V
. [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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