20,22-Dihydroxycholest-4-En-3-One
[CAS# 94415-61-9]

Identification

• Name: 20,22-Dihydroxycholest-4-En-3-One
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-[(1R,2R)-1,2-Dihydroxy-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17S)-17-[(1R,2R)-1,2-Dihydroxy-1,5-Dimethylhexyl]-10,13-Dimethyl-1,2,6,7,8,9,11
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 94415-61-9
• SMILES: [C@H]12[C@@]([C@@H]([C@@](O)([C@H](O)CCC(C)C)C)CC1)(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C27H44O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h16-17,20-24,29-30H,6-15H2,1-5H3/t20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
• InChIKey: DCHUFDLUIZXFQS-ITWQDKSZSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 556.788°C at 760 mmHg (Cal.)
• Flash point: 304.591°C (Cal.)