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(3R,5R,9R,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(3R,5R,9R,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
SpectraBase Compound ID KtUxCXhAK4W
InChI InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13-14,17-18,22H,4-12H2,1-3H3/t13-,14-,17+,18-,20+,21+/m1/s1
InChIKey WHWUFJSGXQWBHH-CBZHNJRYSA-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 3KVwTtpL28l
Name (3R,5R,9R,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
CAS Registry Number 109271-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13-14,17-18,22H,4-12H2,1-3H3/t13-,14-,17+,18-,20+,21+/m1/s1
InChIKey WHWUFJSGXQWBHH-CBZHNJRYSA-N
Molecular Weight 332.484 g/mol
SMILES O[C@]1(C[C@]2(CCC3=C4[C@@]([C@@](C(=O)OC)(CC4)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H]
SPLASH splash10-03dj-0059000000-788ee7922c4a3c37eb34
Source of Spectrum H-69-1849-10
Synonyms Methyl (3R,5R,9R,10S,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate Methyl (3R,5R,9R,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
Wiley ID 1329798