24-Methyl-22,25-epoxy-5alpha-furostan-2,3,11,20-tetrol 2-monoacetate
[CAS# 66536-82-1]

Identification

• Name: 24-Methyl-22,25-epoxy-5alpha-furostan-2,3,11,20-tetrol 2-monoacetate
• Synonyms: Furostan-2,3,11,20-Tetrol, 22,25-Epoxy-24-Methyl-, 2-Acetate, (2Alpha,3Alpha,5Alpha,11Beta,22Alpha,24S)-; Hippurin
• Molecular Formula: C₃₀H₄₈O₇
• Molecular Weight: 520.71
• CAS Registry Number: 66536-82-1
• SMILES: [C@H]1([C@@H](C[C@]4([C@H](C1)CC[C@H]5[C@@H]3C[C@@H]2O[C@@]6([C@]([C@@H]2[C@@]3(C)C[C@@H]([C@H]45)O)(C)O)C[C@@H](C(C)(C)O6)C)C)OC(C)=O)O
• InChI: 1S/C30H48O7/c1-15-12-30(37-26(15,3)4)29(7,34)25-22(36-30)11-19-18-9-8-17-10-20(32)23(35-16(2)31)14-27(17,5)24(18)21(33)13-28(19,25)6/h15,17-25,32-34H,8-14H2,1-7H3/t15-,17-,18-,19-,20-,21-,22-,23+,24+,25-,27-,28-,29+,30-/m0/s1
• InChIKey: HRJBSUKSBJIMML-JQXFSTGHSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 616.304°C at 760 mmHg (Cal.)
• Flash point: 193.253°C (Cal.)