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17,19-Dinor-8.beta.H-labda-3,13-dien-15-oic acid, 5,9-dimethyl-, methyl ester, (E)-(-)-
SpectraBase Compound ID JT8bKLsK6QX
InChI InChI=1S/C21H34O2/c1-15(14-19(22)23-6)10-12-20(4)17(3)11-13-21(5)16(2)8-7-9-18(20)21/h8,14,17-18H,7,9-13H2,1-6H3/b15-14+/t17-,18-,20-,21+/m0/s1
InChIKey ULUVTDOVIRYSSF-QKPVEVRKSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsZkf5RuWO4
Name 17,19-Dinor-8.beta.H-labda-3,13-dien-15-oic acid, 5,9-dimethyl-, methyl ester, (E)-(-)-
Alternate Name(s) Kolavenic acid, methyl ester Methyl kolavenate
CAS Registry Number 23527-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-15(14-19(22)23-6)10-12-20(4)17(3)11-13-21(5)16(2)8-7-9-18(20)21/h8,14,17-18H,7,9-13H2,1-6H3/b15-14+/t17-,18-,20-,21+/m0/s1
InChIKey ULUVTDOVIRYSSF-QKPVEVRKSA-N
Molecular Weight 318.501 g/mol
SMILES [C@@]12([C@]([C@](CC\C(=C\C(=O)OC)C)(C)[C@](CC2)(C)[H])(CCC=C1C)[H])C
SPLASH splash10-0avs-9801000000-614bd1d62ad5b1606e8f
Source of Spectrum F-35-983-0
Wiley ID 1318992