4-Cholesten-3-one

Catalog	ACM601570
CAS	601-57-0
Structure
Category	Environmental Standards
Synonyms	3-Keto-4-cholestene
IUPAC Name	(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Weight	384.64
Molecular Formula	C27H44O
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key	NYOXRYYXRWJDKP-GYKMGIIDSA-N
Boiling Point	451.27 °C
Melting Point	79-82 °C
Flash Point	247.7 °C
Purity	95%+
Density	0.9717 g/cm³
Appearance	White to off-white solid
Storage	-20 °C
EC Number	210-005-1
Refractive Index	1.5100
Stability	Stable. Incompatible with strong oxidizing agents.
WGK Germany	3

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