(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

SpectraBase Compound ID	LvRvQ9Etwqq
InChI	InChI=1S/C27H48O4/c1-17(16-28)6-5-7-18(2)21-8-9-22-20-14-24(30)27(31)15-19(29)10-13-26(27,4)23(20)11-12-25(21,22)3/h17-24,28-31H,5-16H2,1-4H3/t17?,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey	PFYSRSDOSXYIFG-DUNVRISLSA-N Google Search
Mol Weight	436.7 g/mol
Molecular Formula	C27H48O4
Exact Mass	436.35526 g/mol

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SpectraBase Spectrum ID	4McfdQcwpo6
Name	(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H48O4
InChI	InChI=1S/C27H48O4/c1-17(16-28)6-5-7-18(2)21-8-9-22-20-14-24(30)27(31)15-19(29)10-13-26(27,4)23(20)11-12-25(21,22)3/h17-24,28-31H,5-16H2,1-4H3/t17?,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey	PFYSRSDOSXYIFG-DUNVRISLSA-N
Molecular Weight	436.677 g/mol
SMILES	OCC(CCC[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CC[C@@](C[C@@]4([C@@](C3)(O)[H])O)(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])C
SPLASH	splash10-0ufr-0064900000-0ec799eb346c9d403ee2
Source of Spectrum	G4-59-150-4
Synonyms	(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol (3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Wiley ID	1606169