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Methyl 3 - hydroxy - dehydro - abietate
SpectraBase Compound ID AKcFJiWDL75
InChI InChI=1S/C21H30O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-20(16,3)11-10-18(22)21(17,4)19(23)24-5/h6,8,12-13,17-18,22H,7,9-11H2,1-5H3/t17-,18?,20-,21+/m1/s1
InChIKey ZWSUKWVEZZPKAT-GAUHOVIDSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cds84xJJVz
Name Methyl 3 - hydroxy - dehydro - abietate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-20(16,3)11-10-18(22)21(17,4)19(23)24-5/h6,8,12-13,17-18,22H,7,9-11H2,1-5H3/t17-,18?,20-,21+/m1/s1
InChIKey ZWSUKWVEZZPKAT-GAUHOVIDSA-N
Molecular Weight 330.468 g/mol
SMILES OC1[C@]([C@]2([C@](c3ccc(cc3CC2)C(C)C)(C)CC1)[H])(C(=O)OC)C
SPLASH splash10-000i-2393000000-3b015fc9098954163c94
Source of Spectrum Va-0-0-0
Synonyms CA name should be:[1R-(1.alpha.,2.alpha OR beta.4a.beta.,10a.alpha.)]- 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrene-carboxylic acid, methyl ester Methyl (4beta)-3-hydroxyabieta-8,11,13-trien-18-oate Methyl 3-hydroxy-abieta-8,11,13-trien-18-oate
Wiley ID 741773