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

SpectraBase Compound ID	8w4CqeSyF0R
InChI	InChI=1S/C33H52O2S/c1-23(2)11-9-12-24(3)27-18-19-28-26-16-17-30-31(36(34,35)25-13-7-6-8-14-25)15-10-21-32(30,4)29(26)20-22-33(27,28)5/h6-8,13-14,23-24,26-31H,9-12,15-22H2,1-5H3/t24-,26+,27-,28+,29+,30-,31+,32-,33-/m1/s1
InChIKey	YXAIOPBIKINUAD-XDFMXJIWSA-N Google Search
Mol Weight	512.8 g/mol
Molecular Formula	C33H52O2S
Exact Mass	512.368802 g/mol

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SpectraBase Spectrum ID	61JfubGPSfJ
Name	(4S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylsulfonyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H52O2S
InChI	InChI=1S/C33H52O2S/c1-23(2)11-9-12-24(3)27-18-19-28-26-16-17-30-31(36(34,35)25-13-7-6-8-14-25)15-10-21-32(30,4)29(26)20-22-33(27,28)5/h6-8,13-14,23-24,26-31H,9-12,15-22H2,1-5H3/t24-,26+,27-,28+,29+,30-,31+,32-,33-/m1/s1
InChIKey	YXAIOPBIKINUAD-XDFMXJIWSA-N
Molecular Weight	512.837 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)[H])[H]
SPLASH	splash10-006t-6907000000-dd2ae906034f3ebbaacc
Source of Spectrum	KC-0-1590-8
Synonyms	(4S,5S,8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (4S,5S,8S,9S,10R,13R,14S,17R)-4-(benzenesulfonyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (4S,5S,8S,9S,10R,13R,14S,17R)-4-besyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID	830933