Methyl 1,3-dihydroxycholan-24-oate
[CAS# 90134-61-5]

Identification

• Name: Methyl 1,3-dihydroxycholan-24-oate
• Synonyms: (4R)-4-[(1S,3S,5R,8S,9S,10S,13R,14S,17S)-1,3-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Methyl Ester; (4R)-4-[(1S,3S,5R,8S,9S,10S,13R,14S,17S)-1,3-Dihydroxy-10,13-Dimethyl-2,3,
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 90134-61-5
• SMILES: [C@H]1(C[C@@H]([C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@@H]([C@@H](CCC(=O)OC)C)[C@@]2(C)CC[C@H]34)C)O)O
• InChI: 1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)14-22(27)25(16,3)21(18)11-12-24(19,20)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18+,19+,20+,21+,22+,24-,25+/m1/s1
• InChIKey: OKPBKPSSYICCDG-MSJOIBKGSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 507.571°C at 760 mmHg (Cal.)
• Flash point: 162.13°C (Cal.)