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4-Cholesten-3-one-[2,2,4,6,6-d5]

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General Information
Catalog: BLP-007251
CAS: 72560-60-2
Molecular Formula: C27H39D5O
Molecular Weight: 389.67

Chemical Structure

Description	4-Cholesten-3-one-[2,2,4,6,6-d5] is the labelled analogue of 4-Cholesten-3-one, which is an intestinal metabolite of Cholesterol with anti-obesity effect on animals.
Synonyms	4-Cholesten-3-one-2,2,4,6,6-D5; Δ4-Cholesten-3-one-d5; (+)-4-Cholesten-3-one-d5; (17β)-17-Octylandrost-4-en-3-one-d5; 3-Oxocholest-4-ene-d5; Δ4-Cholestenone-d5; 4-Cholesten-3-one-d5; 4-Cholestenone-d5; Cholesterone-d5; NSC 134926-d5
IUPAC Name	(8S,9S,10R,13R,14S,17R)-2,2,4,6,6-pentadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Related CAS	601-57-0 (unlabelled)
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/i9D2,13D2,17D
InChI Key	NYOXRYYXRWJDKP-WXOWQUKUSA-N
Melting Point	80-82°C
Purity	≥99%; ≥98% atom D
Solubility	Slightly soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C