(3S,4R,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]phenanthren-3-ol

SpectraBase Compound ID	FHCZYlm1yji
InChI	InChI=1S/C33H52O3S/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/h6-8,12-13,22-23,25-31,34H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,29-,30+,31-,32-,33-/m1/s1
InChIKey	JMOJRMRMYBQBFX-IOJRIHIISA-N Google Search
Mol Weight	528.8 g/mol
Molecular Formula	C33H52O3S
Exact Mass	528.363717 g/mol

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SpectraBase Spectrum ID	DCT9zw2Fq1F
Name	(3S,4R,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]phenanthren-3-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H52O3S
InChI	InChI=1S/C33H52O3S/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/h6-8,12-13,22-23,25-31,34H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,29-,30+,31-,32-,33-/m1/s1
InChIKey	JMOJRMRMYBQBFX-IOJRIHIISA-N
Molecular Weight	528.836 g/mol
SMILES	O[C@]1(CC[C@]2([C@@]([C@]1(S(=O)(=O)c1ccccc1)[H])(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)[H]
SPLASH	splash10-014r-0229000000-1c1be96db28753c5c8b7
Source of Spectrum	KC-0-1590-10
Synonyms	(3S,4R,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]phenanthren-3-ol (3S,4R,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]phenanthren-3-ol (3S,4R,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]phenanthren-3-ol
Wiley ID	830932