25-Acetoxy-cholesterol

SpectraBase Compound ID	5rG0PHpDzY0
InChI	InChI=1S/C29H48O3/c1-19(8-7-15-27(3,4)32-20(2)30)24-11-12-25-23-10-9-21-18-22(31)13-16-28(21,5)26(23)14-17-29(24,25)6/h9,19,22-26,31H,7-8,10-18H2,1-6H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey	FJRLOKLXOOCLCO-HSIBUNQISA-N Google Search
Mol Weight	444.7 g/mol
Molecular Formula	C29H48O3
Exact Mass	444.360345 g/mol

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SpectraBase Spectrum ID	I6fi0BGPDly
Name	25-Acetoxy-cholesterol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H48O3
InChI	InChI=1S/C29H48O3/c1-19(8-7-15-27(3,4)32-20(2)30)24-11-12-25-23-10-9-21-18-22(31)13-16-28(21,5)26(23)14-17-29(24,25)6/h9,19,22-26,31H,7-8,10-18H2,1-6H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey	FJRLOKLXOOCLCO-HSIBUNQISA-N
Molecular Weight	444.700 g/mol
SMILES	O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCCC(OC(=O)C)(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH	splash10-001i-0029100000-7c3961e1338bc56e8c95
Source of Spectrum	G-72-1326-9
Synonyms	(3beta)-3-hydroxycholest-5-en-25-yl acetate Acetic acid [(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] ester [(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] acetate [(5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,1-dimethyl-hexyl] acetate [(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-2-yl] ethanoate
Wiley ID	1587658