5beta-Cholanic Acid-3alpha,7alpha,12alpha-Triol Ethyl Ester
[CAS# 47676-48-2]

Identification

• Name: 5beta-Cholanic Acid-3alpha,7alpha,12alpha-Triol Ethyl Ester
• Synonyms: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-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 Ethyl Ester; (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid Ethyl Ester; St024723
• Molecular Formula: C₂₆H₄₄O₅
• Molecular Weight: 436.63
• CAS Registry Number: 47676-48-2
• EINECS: 256-328-1
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@@H](CC2)O)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)OCC)C)C
• InChI: 1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
• InChIKey: FPDXMWHJGOCDQJ-HZAMXZRMSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 552.539°C at 760 mmHg (Cal.)
• Flash point: 176.649°C (Cal.)