3,7-Dihydroxychol-5-Enoic Acid
[CAS# 19246-13-0]

Identification

• Name: 3,7-Dihydroxychol-5-Enoic Acid
• Synonyms: (4R)-4-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-Dihydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Beta,7Alpha-Dihydroxychol-5-En-24-Oic Acid; Lmst04010217
• Molecular Formula: C₂₄H₃₈O₄
• Molecular Weight: 390.56
• CAS Registry Number: 19246-13-0
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](O)CC4)C)C
• InChI: 1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h13-14,16-20,22,25-26H,4-12H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChIKey: PXHCARRJGFGPAC-YCBRVCGJSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 562.825°C at 760 mmHg (Cal.)
• Flash point: 308.239°C (Cal.)