24-Methylcholestane-3,5,6,22,24-Pentol 6-Acetate
[CAS# 96736-31-1]

Identification

• Name: 24-Methylcholestane-3,5,6,22,24-Pentol 6-Acetate
• Synonyms: Acetic Acid [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R; [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-2,4-Dihydroxy-1,4,5-Trimethyl-Hexyl]-3,5-Dihydroxy-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-Yl] Acetate
• Molecular Formula: C₃₀H₅₂O₆
• Molecular Weight: 508.74
• CAS Registry Number: 96736-31-1
• SMILES: [C@@]24([C@@]([C@H]1CC[C@]3([C@H]([C@@H]1C[C@H]2OC(=O)C)CC[C@@H]3[C@@H]([C@@H](CC(C(C)C)(O)C)O)C)C)(CC[C@@H](C4)O)C)O
• InChI: 1S/C30H52O6/c1-17(2)29(7,34)16-25(33)18(3)22-8-9-23-21-14-26(36-19(4)31)30(35)15-20(32)10-13-28(30,6)24(21)11-12-27(22,23)5/h17-18,20-26,32-35H,8-16H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29?,30-/m0/s1
• InChIKey: DSWIQYPNVUWDSX-HRVLZDRUSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 618.657°C at 760 mmHg (Cal.)
• Flash point: 191.314°C (Cal.)