(8R,9S,10R,13S,14S,16R,17S)-13-methyl-16,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	HSPttih7v0e
InChI	InChI=1S/C20H28O5/c1-19-7-6-14-13-5-3-12(22)8-11(13)2-4-15(14)16(19)9-17(23)20(19,25)18(24)10-21/h8,13-17,21,23,25H,2-7,9-10H2,1H3/t13-,14+,15+,16-,17+,19-,20-/m0/s1
InChIKey	CHOXXJSPMQDZKC-RIACROSXSA-N Google Search
Mol Weight	348.44 g/mol
Molecular Formula	C20H28O5
Exact Mass	348.193674 g/mol

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SpectraBase Spectrum ID	1omp1b6Rz0H
Name	(8R,9S,10R,13S,14S,16R,17S)-13-methyl-16,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Alternate Name(s)	(8R,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,16R,17S)-17-glycoloyl-16,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H28O5
InChI	InChI=1S/C20H28O5/c1-19-7-6-14-13-5-3-12(22)8-11(13)2-4-15(14)16(19)9-17(23)20(19,25)18(24)10-21/h8,13-17,21,23,25H,2-7,9-10H2,1H3/t13-,14+,15+,16-,17+,19-,20-/m0/s1
InChIKey	CHOXXJSPMQDZKC-RIACROSXSA-N
Molecular Weight	348.439 g/mol
SMILES	OCC([C@]1([C@@](C[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)[H])[H])(O)[H])O)=O
SPLASH	splash10-0006-9030000000-5222696fd3d288d8e147
Source of Spectrum	E1-36-1125-12
Wiley ID	1574597