(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R,5R)-5,6-dimethyl-2,3,5-tris(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,11,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

SpectraBase Compound ID	8t8uLY3SBr
InChI	InChI=1S/C28H46O8/c1-14(2)26(5,34)13-22(33)27(6,35)21-7-8-28(36)16-10-17(29)15-9-18(30)19(31)11-24(15,3)23(16)20(32)12-25(21,28)4/h10,14-15,18-23,30-36H,7-9,11-13H2,1-6H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey	FWHGDMDGGPTQCK-RADOCEPBSA-N Google Search
Mol Weight	510.7 g/mol
Molecular Formula	C28H46O8
Exact Mass	510.319268 g/mol

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SpectraBase Spectrum ID	CNiPt1GG9LM
Name	(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R,5R)-5,6-dimethyl-2,3,5-tris(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,11,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H46O8
InChI	InChI=1S/C28H46O8/c1-14(2)26(5,34)13-22(33)27(6,35)21-7-8-28(36)16-10-17(29)15-9-18(30)19(31)11-24(15,3)23(16)20(32)12-25(21,28)4/h10,14-15,18-23,30-36H,7-9,11-13H2,1-6H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey	FWHGDMDGGPTQCK-RADOCEPBSA-N
Molecular Weight	510.668 g/mol
SMILES	O[C@](C[C@]([C@@]([C@@]1([C@@]2([C@@](CC1)(C1=CC([C@@]3(C[C@]([C@](C[C@@]3([C@]1([C@@](C2)(O)[H])[H])C)(O)[H])(O)[H])[H])=O)O)C)[H])(O)C)(O)[H])(C(C)C)C
SPLASH	splash10-0006-9224600000-9ddc3f2bdb74371d7268
Source of Spectrum	F-54-1663-1
Synonyms	(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R,4R)-1,2,4-trihydroxy-1,4,5-trimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Wiley ID	805908