7-KETOCHOLESTEROL

About This Item

Molecular Formula	C₂₇H₄₄O₂
CAS Number	566-28-9

FC-0456193

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Properties

Chemical Identifiers

IUPAC Name	(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
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C
InChI Key	YIKKMWSQVKJCOP-ABXCMAEBSA-N
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

Physical Properties

Boiling Point	516.7±29.0 °C at 760 mmHg
Melting Point	158-160ºC
Flash Point	218.5±16.9 °C
Density	1.0±0.1 g/cm3

Safety Information

Flash Point

218.5±16.9 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.