(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester

SpectraBase Compound ID	6VJiwMbLAZb
InChI	InChI=1S/C21H34O4/c1-20-8-6-13(22)10-12(20)11-17(23)18-14-4-5-16(19(24)25-3)21(14,2)9-7-15(18)20/h12-18,22-23H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17+,18-,20-,21-/m0/s1
InChIKey	CNCFEJZCXWPMEW-SZMCKYDWSA-N Google Search
Mol Weight	350.5 g/mol
Molecular Formula	C21H34O4
Exact Mass	350.24571 g/mol

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SpectraBase Spectrum ID	3ItCPtjLGO8
Name	(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
Alternate Name(s)	Methyl (3R,5S,7R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate Methyl (3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
CAS Registry Number	109271-17-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H34O4
InChI	InChI=1S/C21H34O4/c1-20-8-6-13(22)10-12(20)11-17(23)18-14-4-5-16(19(24)25-3)21(14,2)9-7-15(18)20/h12-18,22-23H,4-11H2,1-3H3/t12-,13+,14-,15-,16+,17+,18-,20-,21-/m0/s1
InChIKey	CNCFEJZCXWPMEW-SZMCKYDWSA-N
Molecular Weight	350.499 g/mol
SMILES	O[C@]1(C[C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@@](C2)(O)[H])[H])(CC[C@@]4(C(=O)OC)[H])[H])C)[H])(CC1)C)[H])[H]
SPLASH	splash10-03dj-0098000000-e6b926e3cd6a7aa271d5
Source of Spectrum	H-69-1848-6
Wiley ID	1342150