(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-ethyl-1,5-dimethyl-hex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	5T1G3yps3z9
InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h9-10,19-20,23-27,30H,7-8,11-18H2,1-6H3/b21-9+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey	JNYKCGNCXSSXEF-JACNMLTHSA-N Google Search
Mol Weight	412.7 g/mol
Molecular Formula	C29H48O
Exact Mass	412.370516 g/mol

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SpectraBase Spectrum ID	CWE7vr6LwVF
Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-ethyl-1,5-dimethyl-hex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number	38485-29-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H48O
InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h9-10,19-20,23-27,30H,7-8,11-18H2,1-6H3/b21-9+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey	JNYKCGNCXSSXEF-JACNMLTHSA-N
Molecular Weight	412.702 g/mol
SMILES	O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C\C=C\(C(C)C)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH	splash10-053s-9521000000-a04c9972686a44dd6623
Source of Spectrum	F-35-1593-0
Synonyms	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methyl-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Stigmasta-5,23-dien-3.beta.-ol
Wiley ID	1374739