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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-8-oxo-, methyl ester, [1-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-8-oxo-, methyl ester, [1-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-
SpectraBase Compound ID CO1DrkOFbf0
InChI InChI=1S/C21H32O4/c1-13(2)14-7-8-16-19(3)10-6-11-20(4,18(23)25-5)15(19)9-12-21(16,24)17(14)22/h7,13,15-16,24H,6,8-12H2,1-5H3/t15-,16-,19+,20-,21-/m1/s1
InChIKey PCXVVYOASOANQY-XJGBBZTQSA-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 2IEICp4UJj8
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-8-oxo-, methyl ester, [1-(1.alpha.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-
CAS Registry Number 32111-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-13(2)14-7-8-16-19(3)10-6-11-20(4,18(23)25-5)15(19)9-12-21(16,24)17(14)22/h7,13,15-16,24H,6,8-12H2,1-5H3/t15-,16-,19+,20-,21-/m1/s1
InChIKey PCXVVYOASOANQY-XJGBBZTQSA-N
Molecular Weight 348.483 g/mol
SMILES O[C@@]12C(C(C(C)C)=CC[C@@]1([C@]1(CCC[C@]([C@@]1(CC2)[H])(C(=O)OC)C)C)[H])=O
SPLASH splash10-00di-0942000000-403b1ca8c3a5f8010011
Source of Spectrum W5-30777-0-0
Synonyms Methyl 8-hydroxy-14-oxoabiet-12-en-18-oate 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-8-oxo-, methyl ester, @1-(1. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-8-oxo-, methyl ester, [1-(1. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8a-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-8-oxo-, methyl ester, [1-(1alpha,4abeta,4balpha,8aalpha,10aalpha)]- Methyl (4beta,8alpha)-8-hydroxy-14-oxoabiet-12-en-18-oate
Wiley ID 1340820