(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-3-(2-hydroxyethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-ol

SpectraBase Compound ID	Bdv6fOb33JO
InChI	InChI=1S/C25H44O3/c1-5-16(2)20-8-9-21-19-7-6-17-14-18(28-13-12-26)10-11-24(17,3)22(19)15-23(27)25(20,21)4/h16-23,26-27H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChIKey	BPSWOQIIHSTPBP-JAIISETJSA-N Google Search
Mol Weight	392.6 g/mol
Molecular Formula	C25H44O3
Exact Mass	392.329045 g/mol

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SpectraBase Spectrum ID	IeD4RFM4Wr8
Name	(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-3-(2-hydroxyethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-ol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H44O3
InChI	InChI=1S/C25H44O3/c1-5-16(2)20-8-9-21-19-7-6-17-14-18(28-13-12-26)10-11-24(17,3)22(19)15-23(27)25(20,21)4/h16-23,26-27H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChIKey	BPSWOQIIHSTPBP-JAIISETJSA-N
Molecular Weight	392.624 g/mol
SMILES	O[C@]1(C[C@@]2([C@]3(CC[C@@](OCCO)(C[C@]3(CC[C@]2([C@]2([C@]1([C@](CC2)([C@@](CC)(C)[H])[H])C)[H])[H])[H])[H])C)[H])[H]
SPLASH	splash10-03di-0009000000-9539389ddde1dab96e48
Source of Spectrum	KC-0-1956-19
Synonyms	(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-butan-2-yl]-3-(2-hydroxyethyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-ol (3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-(2-hydroxyethoxy)-10,13-dimethyl-17-[(1R)-1-methylpropyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-ol
Wiley ID	784153