(3alpha,5beta,7alpha,8xi,9xi,14xi,17xi)-3,7-Dihydroxycholestan-26-oic acid
[CAS# 17974-66-2]

Identification

• Name: (3alpha,5beta,7alpha,8xi,9xi,14xi,17xi)-3,7-Dihydroxycholestan-26-oic acid
• Synonyms: 3α,7α-dihydroxy-5β-cholestan-26-oic acid; 3α,7α-Dihydroxy-5β-cholestanate; 3α,7α-dihydroxy-5β-cholestanic acid
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 434.65
• CAS Registry Number: 17974-66-2
• SMILES: O=C(O)C(C)CCC[C@H](C1CCC2[C@]1(C)CCC4C2[C@H](O)C[C@@H]3C[C@H](O)CC[C@@]34C)C
• InChI: 1S/C27H46O4/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/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20?,21?,22?,23-,24?,26+,27-/m1/s1
• InChIKey: ITZYGDKGRKKBSN-SQZYAAIWSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 574.184°C at 760 mmHg (Cal.)
• Flash point: 315.101°C (Cal.)
• Refractive index: 1.533 (Cal.)