(4S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	A5MkEUmK7b0
InChI	InChI=1S/C33H50O3S/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(37(35,36)24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,22-23,25-29,31H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,29+,31+,32-,33-/m1/s1
InChIKey	OCGMVVZRUSOKHG-WUWBSYPJSA-N Google Search
Mol Weight	526.8 g/mol
Molecular Formula	C33H50O3S
Exact Mass	526.348067 g/mol

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SpectraBase Spectrum ID	7kMbh20GpPf
Name	(4S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H50O3S
InChI	InChI=1S/C33H50O3S/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(37(35,36)24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,22-23,25-29,31H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,29+,31+,32-,33-/m1/s1
InChIKey	OCGMVVZRUSOKHG-WUWBSYPJSA-N
Molecular Weight	526.820 g/mol
SMILES	[C@@]1(S(=O)(=O)c2ccccc2)([C@]2([C@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C)CCC1=O)[H])[H]
SPLASH	splash10-004r-0196100000-a382ecc8289c5dc280d8
Source of Spectrum	KC-0-1590-11
Synonyms	(4S,5R,8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (4S,5R,8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (4S,5R,8S,9S,10R,13R,14S,17R)-4-besyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Wiley ID	830929