7-Ketocholesterol

Synonyms	(3β)-3-Hydroxycholest-5-en-7-one; 3β-Hydroxycholest-5-en-7-one; 7-Oxocholesterol; Cholest-5-en-3β-ol-7-one; 7-Oxocholesterol; 7-oxo-cholesterol
IUPACName	(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
CanonicalSMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C
InChI	InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey	YIKKMWSQVKJCOP-ABXCMAEBSA-N
BoilingPoint	516.7°C at 760 mmHg
MeltingPoint	168-170°C
Purity	> 95%
Density	1.0 g/cm3
Solubility	Soluble in Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
ExactMass	400.334
Hygroscopic	No
LightSensitive	Yes
PercentComposition	C 80.94%, H 11.07%, O 7.99%

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