(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylthio)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	7Q9xNzszEAf
InChI	InChI=1S/C33H50OS/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(35-24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,22-23,25-28,30,34H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,30-,32-,33-/m1/s1
InChIKey	BGYYYDFDWQWQCO-RPJVVIOBSA-N Google Search
Mol Weight	494.8 g/mol
Molecular Formula	C33H50OS
Exact Mass	494.358237 g/mol

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SpectraBase Spectrum ID	1DZXg1HOi5L
Name	(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-(phenylthio)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H50OS
InChI	InChI=1S/C33H50OS/c1-22(2)10-9-11-23(3)26-16-17-27-25-14-15-29-31(35-24-12-7-6-8-13-24)30(34)19-21-33(29,5)28(25)18-20-32(26,27)4/h6-8,12-13,22-23,25-28,30,34H,9-11,14-21H2,1-5H3/t23-,25+,26-,27+,28+,30-,32-,33-/m1/s1
InChIKey	BGYYYDFDWQWQCO-RPJVVIOBSA-N
Molecular Weight	494.822 g/mol
SMILES	O[C@]1(C(=C2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CC1)C)Sc1ccccc1)[H]
SPLASH	splash10-056r-1101900000-2fa96cec8cf742690c14
Source of Spectrum	KC-0-1593-16
Synonyms	(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4-phenylsulfanyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-(phenylthio)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-phenylsulfanyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID	830926