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1-[(3S,5S,6S,8S,10S,13S,14S,17S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(3S,5S,6S,8S,10S,13S,14S,17S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SpectraBase Compound ID 2MVb5prvM1y
InChI InChI=1S/C21H32O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,13-16,18-19,23-24H,4-6,8-11H2,1-3H3/t13-,14-,15+,16-,18+,19-,20+,21+/m0/s1
InChIKey KFNFTGFTYYZZRD-VYXAABIESA-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 WILwjmGiBa
Name 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CAS Registry Number 37717-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,13-16,18-19,23-24H,4-6,8-11H2,1-3H3/t13-,14-,15+,16-,18+,19-,20+,21+/m0/s1
InChIKey KFNFTGFTYYZZRD-VYXAABIESA-N
Molecular Weight 332.484 g/mol
SMILES O[C@@]1([C@@]2([C@](CC[C@@](C2)(O)[H])(C2=CC[C@@]3([C@](CC[C@]3([C@@]2(C1)[H])[H])(C(C)=O)[H])C)C)[H])[H]
SPLASH splash10-0006-9044000000-9729ff5279208b6a8975
Source of Spectrum X4-14-351-0
Synonyms 1-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 1585244