(3alpha,5beta,7alpha,8xi)-7,24-Dihydroxy-24-oxocholan-3-yl beta-D-glucopyranosiduronic acid
[CAS# 58814-71-4]

Identification

• Name: (3alpha,5beta,7alpha,8xi)-7,24-Dihydroxy-24-oxocholan-3-yl beta-D-glucopyranosiduronic acid
• Synonyms: (3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, b-D-Glucopyranosiduronic acid
• Molecular Formula: C₃₀H₄₈O₁₀
• Molecular Weight: 568.70
• CAS Registry Number: 58814-71-4
• SMILES: OC(=O)CC[C@@H](C)[C@H]5CC[C@@H]4[C@]5(C)CC[C@H]2[C@H]4[C@H](O)C[C@@H]3C[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC[C@]23C
• InChI: 1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
• InChIKey: GDNGOAUIUTXUES-BWGRGVIUSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 760.291°C at 760 mmHg (Cal.)
• Flash point: 242.897°C (Cal.)