13alpha,17alpha)-6alpha,7alpha-Diacetoxy-14beta,15beta:21,23-diepoxy-4a,4a,8-trimethyl-alpha-homo-24-nor-4-oxa-5alpha-chola-1,20,22-trien-3-on
[CAS# 73410-23-8]

Identification

• Name: 13alpha,17alpha)-6alpha,7alpha-Diacetoxy-14beta,15beta:21,23-diepoxy-4a,4a,8-trimethyl-alpha-homo-24-nor-4-oxa-5alpha-chola-1,20,22-trien-3-on
• Synonyms: Surenin
• Molecular Formula: C₃₀H₃₈O₈
• Molecular Weight: 526.63
• CAS Registry Number: 73410-23-8
• SMILES: [C@H]16[C@@](C)([C@@H]([C@@H]([C@@H]2[C@@]1(C=CC(=O)OC2(C)C)C)OC(=O)C)OC(=O)C)[C@]34[C@]([C@@H](C[C@H]3O4)C5=COC=C5)(CC6)C
• InChI: 1S/C30H38O8/c1-16(31)35-23-24-26(3,4)38-22(33)9-11-27(24,5)20-8-12-28(6)19(18-10-13-34-15-18)14-21-30(28,37-21)29(20,7)25(23)36-17(2)32/h9-11,13,15,19-21,23-25H,8,12,14H2,1-7H3/t19-,20+,21+,23+,24-,25+,27+,28-,29-,30+/m0/s1
• InChIKey: VVQABWUCPJACPI-PCMXRIIZSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 609.434°C at 760 mmHg (Cal.)
• Flash point: 322.374°C (Cal.)