Ethyl (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate
[CAS# 69519-35-3]

Identification

• Name: Ethyl (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate
• Synonyms: ethyl 4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracy clo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate; ethyl 4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate; ZINC05223027
• Molecular Formula: C₂₆H₄₄O₄
• Molecular Weight: 420.63
• CAS Registry Number: 69519-35-3
• SMILES: O=C(OCC)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]1[C@@H]([C@@]2([C@H](CC1)C[C@H](O)CC2)C)C[C@H](O)[C@@]34C
• InChI: 1S/C26H44O4/c1-5-30-24(29)11-6-16(2)20-9-10-21-19-8-7-17-14-18(27)12-13-25(17,3)22(19)15-23(28)26(20,21)4/h16-23,27-28H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
• InChIKey: ZFVNCIMEWULGEX-VAYUFCLWSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 519.403°C at 760 mmHg (Cal.)
• Flash point: 164.256°C (Cal.)