1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3α,3aβ,6α,7β,8aα)]-
- Formula: C17H28O2
- Molecular weight: 264.4030
- IUPAC Standard InChI: InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11?,13?,14?,16-,17?/m0/s1
- IUPAC Standard InChIKey: HQKQRXZEXPXXIG-IUGWZREUSA-N
- CAS Registry Number: 77-54-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 8βH-Cedran-8-ol, acetate; Cedryl acetate; Acetic acid, cedrol ester; Cedranyl acetate; 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate; (3R,3aS,6R,7R,8aS)-3,6,8,8-Tetramethyloctahydro-1H-3a,7-methanoazulen-6-yl acetate; Cedran-8-yl acetate; [3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl acetate
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Normal alkane RI, polar column, temperature ramp
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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-Innowax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 60. | 60. |
| Carrier gas | Nitrogen | N2 | N2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 70. | 70. |
| Tend (C) | 280. | 230. | 230. |
| Heat rate (K/min) | 5. | 2. | 2. |
| Initial hold (min) | 1. | 2. | 2. |
| Final hold (min) | 1. | 20. | 20. |
| I | 2151. | 2147. | 2143. |
| Reference | Bousaada, Ammar, et al., 2008 | Choi, 2004 | Choi, 2004, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Choi, 2004, 2
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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