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(1S,4aR,4bS,8aS,10aR)-Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1'-methylethyl)-9-oxophenanthrene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,4aR,4bS,8aS,10aR)-Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1'-methylethyl)-9-oxophenanthrene-1-carboxylate
SpectraBase Compound ID 7zAFr6kgBju
InChI InChI=1S/C21H32O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h11,13,15-16,18H,6-10,12H2,1-5H3/t15-,16-,18+,20+,21-/m0/s1
InChIKey CNGZNZZEFGHYIH-NJJMDDNLSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfyPdshBXvP
Name (1S,4aR,4bS,8aS,10aR)-Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1'-methylethyl)-9-oxophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h11,13,15-16,18H,6-10,12H2,1-5H3/t15-,16-,18+,20+,21-/m0/s1
InChIKey CNGZNZZEFGHYIH-NJJMDDNLSA-N
Molecular Weight 332.484 g/mol
SMILES [C@]12([C@@]([C@]3(CCC(=C[C@@]3(C(C2)=O)[H])C(C)C)[H])(CCC[C@@]1(C(=O)OC)C)C)[H]
SPLASH splash10-001i-0049000000-dd9d8af6a88358bc1ad2
Source of Spectrum AH-129-925-4
Synonyms Methyl (4alpha)-7-oxoabiet-13-en-18-oate Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1'-methylethyl)-9-oxophenanthrene-1-carboxylate
Wiley ID 770509