188174

(+)-4-Cholesten-3-one

98%

• Synonym(s): 3-Keto-4-cholestene, 3-Oxo-4-cholestene, 4-Cholesten-3-one
• Empirical Formula (Hill Notation): C₂₇H₄₄O
• CAS Number: 601-57-0
• Molecular Weight: 384.64
• Beilstein/REAXYS Number: 2224119
• EC Number: 210-005-1
• MDL number: MFCD00003663
• UNSPSC Code: 12352115
• PubChem Substance ID: 24851303
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: solid
• optical activity: [α]23/D +91.0°, c = 2 in chloroform
• mp: 79-81 °C (lit.)
• functional group: ketone
• SMILES string: [H][C@@]12[C@]([C@](CC3)(C)C(CC2)=CC3=O)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCCC(C)C
• 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

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)