2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, methyl ester, (R)-(Z,E)-
- Formula: C16H22O4
- Molecular weight: 278.3435
- IUPAC Standard InChI: InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8+/t16-/m0/s1
- IUPAC Standard InChIKey: HHDYPZVHXGPCRG-XSMWWFTRSA-N
- CAS Registry Number: 7200-31-9
- 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. - Species with the same structure:
- Other names: Methyl abscisate; Me-(+/-)abscisic acid; (2Z,4E)-Methyl abscisate
- Information on this page:
- Other data available:
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 202. | 2049. | Zeevaart and Milborrow, 1976 | Gas-Chrom Q; Column length: 1.8 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 2030. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
| Capillary | BP-1 | 2112. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zeevaart and Milborrow, 1976
Zeevaart, J.A.D.; Milborrow, B.V.,
Metabolism of abscisic acid and the occurence of epi-dihydrophaseic acid in Phaseolus vulgaris,
Phytochemistry, 1976, 15, 4, 493-500, https://doi.org/10.1016/S0031-9422(00)88955-4
. [all data]
Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K.,
Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey,
J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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