3,7-Dihydroxy-5-Cholestenoic Acid
[CAS# 115538-84-6]

Identification

• Name: 3,7-Dihydroxy-5-Cholestenoic Acid
• Synonyms: (6R)-6-[(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]-2-Methyl-Heptanoic Acid; (6R)-6-[(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]-2-Methyl-Enanthic Acid; 3,7-Dihydroxy-5-Cholestenoic Acid
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 115538-84-6
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C(=O)O)C)C)(CC[C@@H]2[C@@]4(C(=C[C@H]3O)C[C@@H](O)CC4)C)C
• InChI: 1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
• InChIKey: GYJSAWZGYQXRBS-GRJZKGIBSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 588.068°C at 760 mmHg (Cal.)
• Flash point: 323.488°C (Cal.)