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

SpectraBase Compound ID	4TAju99DP7y
InChI	InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17?,19+,20-,21-/m0/s1
InChIKey	ZFQSDPPADTWKDI-CEBBQGNQSA-N Google Search
Mol Weight	344.45 g/mol
Molecular Formula	C21H28O4
Exact Mass	344.198759 g/mol

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SpectraBase Spectrum ID	LNbg8keskXL
Name	(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CAS Registry Number	13479-38-4
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28O4
InChI	InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17?,19+,20-,21-/m0/s1
InChIKey	ZFQSDPPADTWKDI-CEBBQGNQSA-N
Molecular Weight	344.451 g/mol
SMILES	OC1[C@@]2([C@@]3(C(CC[C@]2([C@]2([C@@]([C@@](C(CO)=O)(CC2)[H])(C1)C)[H])[H])=CC(C=C3)=O)C)[H]
SPLASH	splash10-00di-0921000000-71708c9f843fdafbb2d6
Source of Spectrum	KO-12-406-6
Synonyms	(8S,9S,10R,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (8S,9S,10R,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Wiley ID	1338130