1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, methyl ester, [3S-(3α,3aα,6α,8aα)]-
- Formula: C16H24O2
- Molecular weight: 248.3606
- IUPAC Standard InChI: InChI=1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3
- IUPAC Standard InChIKey: DZVKVIGAEDEAIN-UHFFFAOYSA-N
- CAS Registry Number: 18444-89-8
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 1H-3aβ,6-Methanoazulene-3-carboxylic acid, 2,3β,4,5,6α,7,8,8aα-octahydro-7,7-dimethyl-8-methylene-, methyl ester; Methyl zizanoate; 1H-3a,6-Methanoazulene-3-carboxylic acid, 3,3β,4,5,6β,7,8,8aα-octahydro-7,7-dimethyl-8-methylene-, methyl ester; (3S,3aR,6R,8aS)-Methyl 7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylate; Methyl Ziza-6(13)-en-12-oate; methyl [3S-(3α,3aα,6α,8aα)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1738.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1696. | Weyerstahl, Marschall, et al., 2000 | Column length: 25. m; Program: not specified |
| Capillary | CP Sil 5 CB | 1696. | Weyerstahl, Marschall, et al., 2000, 2 | N2; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H.,
Constituents of Haitian vetiver oil,
Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9
. [all data]
Weyerstahl, Marschall, et al., 2000, 2
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; D.,
1,7-Cyclogermacra-1(10),4-dien-15-al, a sesquiterpene with a novel skeleton, and other sesquiterpenes from Haitian vetiver oil,
Flavour Fragr. J., 2000, 15, 2, 61-83, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<61::AID-FFJ865>3.0.CO;2-S
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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