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

SpectraBase Compound ID	Jx7cyWj6or1
InChI	InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,27+,28+/m0/s1
InChIKey	JSVPGVHCEQDJCZ-FWIQQJMXSA-N Google Search
Mol Weight	432.7 g/mol
Molecular Formula	C28H48O3
Exact Mass	432.360345 g/mol

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SpectraBase Spectrum ID	8BTiEuAGQCv
Name	(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S,5S)-5,6-dimethyl-3-oxidanyl-heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H48O3
InChI	InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,27+,28+/m0/s1
InChIKey	JSVPGVHCEQDJCZ-FWIQQJMXSA-N
Molecular Weight	432.689 g/mol
SMILES	O[C@]([C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CC[C@@](C[C@@]4(C(C3)=O)[H])(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(C[C@@](C(C)C)(C)[H])[H]
SPLASH	splash10-014i-0009000000-8751f699052ad5f663cb
Source of Spectrum	F-53-17052-20
Synonyms	(3S,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S,2S,4S)-2-hydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3S,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(2S,3S,5S)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID	804716