(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	2ayivEVED85
InChI	InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,18,20,22-24,28-29H,6-7,10-17H2,1-5H3/t18-,20+,22-,23+,24+,26+,27-/m1/s1
InChIKey	JJFYNCJHSCTBPW-TVQCKQBJSA-N Google Search
Mol Weight	400.6 g/mol
Molecular Formula	C27H44O2
Exact Mass	400.334131 g/mol

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SpectraBase Spectrum ID	75vAa3bPq6
Name	(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number	22145-68-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O2
InChI	InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,18,20,22-24,28-29H,6-7,10-17H2,1-5H3/t18-,20+,22-,23+,24+,26+,27-/m1/s1
InChIKey	JJFYNCJHSCTBPW-TVQCKQBJSA-N
Molecular Weight	400.647 g/mol
SMILES	OC(CCC[C@]([C@@]1([C@@]2([C@](C3=CC=C4C[C@](CC[C@@]4([C@]3(CC2)[H])C)(O)[H])(CC1)[H])C)[H])(C)[H])(C)C
SPLASH	splash10-0udi-0031900000-7ed1c6b19791c2e55f92
Source of Spectrum	KC-1976-734-0
Synonyms	(3S,9S,10R,13R,14R,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,9S,10R,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID	1369705