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Methyl 13,14-dihydro-13.alpha.-hydroxy-14-oxoabietate
SpectraBase Compound ID 78rYKXIlGoH
InChI InChI=1S/C21H32O4/c1-13(2)21(24)12-9-15-14(17(21)22)7-8-16-19(15,3)10-6-11-20(16,4)18(23)25-5/h7,13,15-16,24H,6,8-12H2,1-5H3/t15-,16+,19+,20+,21+/m0/s1
InChIKey GYXUVWYYWIMNGW-AKJHWKIKSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ljdI2WwFxb
Name Methyl 13,14 - dihydro - 13.alpha. - hydroxy - 14 - oxo - abietate
Alternate Name(s) Methyl (4beta,13beta)-13-hydroxy-14-oxoabiet-7-en-18-oate
CAS Registry Number 142294-39-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-13(2)21(24)12-9-15-14(17(21)22)7-8-16-19(15,3)10-6-11-20(16,4)18(23)25-5/h7,13,15-16,24H,6,8-12H2,1-5H3/t15-,16+,19+,20+,21+/m0/s1
InChIKey GYXUVWYYWIMNGW-AKJHWKIKSA-N
Molecular Weight 348.483 g/mol
SMILES O[C@@]1(C(C=2[C@@]([C@]3(CCC[C@]([C@@]3(CC2)[H])(C(=O)OC)C)C)(CC1)[H])=O)C(C)C
SPLASH splash10-0a4j-0289000000-78d9433b8fb03187e2d6
Source of Spectrum Va-0-0-0
Wiley ID 740054