(3S,5S,8R,9S,10S,13R,14S,17R)-3-but-3-enyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

SpectraBase Compound ID	1KLeMObj1O7
InChI	InChI=1S/C31H54O/c1-7-8-17-31(32)20-19-29(5)24(21-31)12-13-25-27-15-14-26(23(4)11-9-10-22(2)3)30(27,6)18-16-28(25)29/h7,22-28,32H,1,8-21H2,2-6H3/t23-,24+,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey	LHMZCNDKTOGEAZ-CKLDDWCWSA-N Google Search
Mol Weight	442.8 g/mol
Molecular Formula	C31H54O
Exact Mass	442.417466 g/mol

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SpectraBase Spectrum ID	1gnybGKkZmP
Name	(3S,5S,8R,9S,10S,13R,14S,17R)-3-but-3-enyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Alternate Name(s)	(3R,5S,8R,9S,10S,13R,14S,17R)-3-but-3-enyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol (3R,5S,8R,9S,10S,13R,14S,17R)-3-but-3-enyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol (3S,5S,8R,9S,10S,13R,14S,17R)-3-but-3-enyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H54O
InChI	InChI=1S/C31H54O/c1-7-8-17-31(32)20-19-29(5)24(21-31)12-13-25-27-15-14-26(23(4)11-9-10-22(2)3)30(27,6)18-16-28(25)29/h7,22-28,32H,1,8-21H2,2-6H3/t23-,24+,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey	LHMZCNDKTOGEAZ-CKLDDWCWSA-N
Molecular Weight	442.772 g/mol
SMILES	O[C@@]1(CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)CCC=C
SPLASH	splash10-000i-0009100000-a39935e568bade000e66
Source of Spectrum	KC-1992-2921-33
Wiley ID	777047