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

SpectraBase Compound ID	FV7ph7mxmAH
InChI	InChI=1S/C26H46O3/c1-5-17(2)20-7-8-21-24-22(10-12-26(20,21)4)25(3)11-9-19(29-14-6-13-27)15-18(25)16-23(24)28/h17-24,27-28H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1
InChIKey	IXMHFDBEFGBNSX-WLZWUTLSSA-N Google Search
Mol Weight	406.7 g/mol
Molecular Formula	C26H46O3
Exact Mass	406.344695 g/mol

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SpectraBase Spectrum ID	Lt7hkqSCPXq
Name	(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-3-(3-oxidanylpropoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
Alternate Name(s)	(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-butan-2-yl]-3-(3-hydroxypropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol (3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-hydroxypropoxy)-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-7-ol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H46O3
InChI	InChI=1S/C26H46O3/c1-5-17(2)20-7-8-21-24-22(10-12-26(20,21)4)25(3)11-9-19(29-14-6-13-27)15-18(25)16-23(24)28/h17-24,27-28H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1
InChIKey	IXMHFDBEFGBNSX-WLZWUTLSSA-N
Molecular Weight	406.651 g/mol
SMILES	OCCCO[C@]1(C[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@@](C2)(O)[H])[H])(CC[C@@]4([C@@](CC)(C)[H])[H])[H])C)[H])(CC1)C)[H])[H]
SPLASH	splash10-03di-0009000000-cf2044b338a213841c6e
Source of Spectrum	KC-0-1957-22
Wiley ID	784152