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(8S,13S,14S,17S)-13,17-dimethyl-17-[(2S)-2-oxidanylpropanoyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(8S,13S,14S,17S)-13,17-dimethyl-17-[(2S)-2-oxidanylpropanoyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID G3x3o56NRm1
InChI InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
InChIKey JUNDJWOLDSCTFK-MTZCLOFQSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uldAdyoli6
Name (8S,13S,14S,17S)-13,17-dimethyl-17-[(2S)-2-oxidanylpropanoyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
InChIKey JUNDJWOLDSCTFK-MTZCLOFQSA-N
Molecular Weight 342.479 g/mol
SMILES O[C@](C([C@@]1([C@@]2([C@]([C@@]3(CCC=4C(=C3CC2)CCC(=O)C4)[H])(CC1)[H])C)C)=O)(C)[H]
SPLASH splash10-03dm-5697000000-012cc9a46b8c73ff37ff
Source of Spectrum OV-1-11-1
Synonyms (8S,13S,14S,17S)-17-[(2S)-2-hydroxy-1-oxopropyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1547561