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(4aR,6aS,8S,9R,11aR,11bR)-Tetradecahydro-11b-methyl-4-methylidene-6a,9-methanocyclohepta[a]naphthalene-8-carboxylic Acid
SpectraBase Compound ID BJeFx8rnMcy
InChI InChI=1S/C19H28O2/c1-12-4-3-8-18(2)15(12)7-9-19-10-13(5-6-16(18)19)14(11-19)17(20)21/h13-16H,1,3-11H2,2H3,(H,20,21)/t13-,14+,15-,16+,18-,19+/m1/s1
InChIKey WMEDLAURVXZWQZ-DGUWLTKGSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOh7YMaMZV4
Name (4aR,6aS,8S,9R,11aR,11bR)-Tetradecahydro-11b-methyl-4-methylidene-6a,9-methanocyclohepta[a]naphthalene-8-carboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-12-4-3-8-18(2)15(12)7-9-19-10-13(5-6-16(18)19)14(11-19)17(20)21/h13-16H,1,3-11H2,2H3,(H,20,21)/t13-,14+,15-,16+,18-,19+/m1/s1
InChIKey WMEDLAURVXZWQZ-DGUWLTKGSA-N
Literature Reference DOI 10.1002/cbdv.201000356
Molecular Weight 288.431 g/mol
SMILES OC([C@@]1([C@@]2(CC[C@@]3([C@](C2)(CC[C@]2([C@]3(CCCC2=C)C)[H])C1)[H])[H])[H])=O
SPLASH splash10-0002-2390000000-ed66ec18cd5e8a05a961
Source of Spectrum CBD-8-2297-2
Synonyms 18-Nor-ent-kaur-4(19)-en-17-oic Acid (4aR,6aS,8S,9R,11aR,11bR)-11b-methyl-4-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-8-carboxylic acid
Wiley ID 1771042