(3beta,5beta,6alpha)-3,6-Dihydroxycholan-24-Oic Acid
[CAS# 570-84-3]

Identification

• Name: (3beta,5beta,6alpha)-3,6-Dihydroxycholan-24-Oic Acid
• Synonyms: 3β,6α-Dihydroxy-5β-cholan-24-oic Acid; LMST04010026
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.57
• CAS Registry Number: 570-84-3
• SMILES: O=C(O)CC[C@@H](C)[C@@H]4[C@]3(CC[C@H]1[C@@H](C[C@H](O)[C@@H]2C[C@@H](O)CC[C@]12C)[C@@H]3CC4)C
• InChI: 1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
• InChIKey: DGABKXLVXPYZII-MMTMODRTSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 547.148°C at 760 mmHg (Cal.)
• Flash point: 298.768°C (Cal.)