7-oxo-5-Cholesten-3beta-yl benzoate

SpectraBase Compound ID	KaEu06ou8f6
InChI	InChI=1S/C34H48O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-29,31H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,31+,33+,34-/m1/s1
InChIKey	CSZVQZAYIQQOMB-CKZQZXSRSA-N Google Search
Mol Weight	504.8 g/mol
Molecular Formula	C34H48O3
Exact Mass	504.360345 g/mol

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SpectraBase Spectrum ID	47MWMHf3njG
Name	3.beta.-Benzoyloxy-5-cholestene-7-one
CAS Registry Number	6997-41-7
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H48O3
InChI	InChI=1S/C34H48O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-29,31H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,31+,33+,34-/m1/s1
InChIKey	CSZVQZAYIQQOMB-CKZQZXSRSA-N
Molecular Weight	504.755 g/mol
SMILES	[C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)c2ccccc2)(C4)[H])C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-0l1i-2903000000-ad6ebafe9b90f44c9143
Source of Spectrum	C-118-7729-22
Synonyms	(3beta)-7-oxocholest-5-en-3-yl benzoate benzoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
Wiley ID	759862