(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	CqgXhT5VLt2
InChI	InChI=1S/C29H48O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h6-7,9,19-23,25-27,30-31H,8,10-18H2,1-5H3/b7-6+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey	FRTCDNFAHNPZBV-GIYWOASVSA-N Google Search
Mol Weight	428.7 g/mol
Molecular Formula	C29H48O2
Exact Mass	428.365431 g/mol

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SpectraBase Spectrum ID	CPOJrhvc8GN
Name	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R,4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number	108160-27-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H48O2
InChI	InChI=1S/C29H48O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h6-7,9,19-23,25-27,30-31H,8,10-18H2,1-5H3/b7-6+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey	FRTCDNFAHNPZBV-GIYWOASVSA-N
Molecular Weight	428.701 g/mol
SMILES	OCC[C@@](\C=C\[C@]([C@@]1([C@@]2([C@](C3=CC[C@]4(C[C@](CC[C@@]4([C@]3(CC2)[H])C)(O)[H])[H])(CC1)[H])C)[H])(C)[H])(C(C)C)[H]
SPLASH	splash10-00di-0090100000-fc3ea94453f5d88b5656
Source of Spectrum	F-42-4846-4
Synonyms	(22E,24S)-3.beta.,29-dihydroxy-5a-stigmasta-7,22-diene (22E,24R)-3.beta.,29-dihydroxy-5.alpha.-stigmasta-7,22-diene Stigmasta-7,22-diene-3,29-diol, (3.beta.,5.alpha.,22E,24R)- (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-(2-hydroxyethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-(2-hydroxyethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID	1380954