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1-[(3S,8R,9S,10R,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

View entire compound with spectra: 1 MS (GC)

1-[(3S,8R,9S,10R,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SpectraBase Compound ID 9FWmaPJypYD
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,15-17,19,23H,5-6,8-12H2,1-3H3/t15-,16-,17+,19-,20-,21+/m0/s1
InChIKey XUTXUYNYUKSWRF-LZQVICCCSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7f2obRTj22
Name 1-[(3S,8R,9S,10R,13R,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,7,15-17,19,23H,5-6,8-12H2,1-3H3/t15-,16-,17+,19-,20-,21+/m0/s1
InChIKey XUTXUYNYUKSWRF-LZQVICCCSA-N
Molecular Weight 314.469 g/mol
SMILES O[C@@]1(CC2=CC[C@]3(C=4[C@@]([C@@](C(=O)C)(CC4)[H])(CC[C@@]3([C@]2(CC1)C)[H])C)[H])[H]
SPLASH splash10-03di-0039000000-bf035a8ccf1cd98629b2
Source of Spectrum OP-24-161-5
Synonyms 1-[(3S,8R,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Wiley ID 850412