Clinoposaponin VI
[CAS# 152020-03-6]

Identification

• Name: Clinoposaponin VI
• Synonyms: Beta-D-Galactopyranoside, (3Beta,4Alpha,16Beta)-13,28-Epoxy-16-(Beta-D-Glucopyranosyloxy)-23-Hydroxyolean-11-En-3-Yl 6-Deoxy-
• Molecular Formula: C₄₂H₆₈O₁₃
• Molecular Weight: 780.99
• CAS Registry Number: 152020-03-6
• SMILES: [C@@H]18C37OCC1([C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C[C@]3([C@]4(C([C@@]6(C(CC4)C(C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C)CC6)(CO)C)C)C=C7)C)C)CCC(C8)(C)C
• InChI: 1S/C42H68O13/c1-21-28(45)30(47)32(49)34(52-21)54-26-10-11-37(4)23(38(26,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)27(17-40(39,42)7)55-35-33(50)31(48)29(46)22(18-43)53-35/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23?,24?,25+,26?,27-,28-,29-,30+,31+,32-,33-,34+,35+,37+,38?,39-,40+,41?,42?/m1/s1
• InChIKey: STCPOQVJMHDAOS-ZWOXGIEQSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 869.374°C at 760 mmHg (Cal.)
• Flash point: 479.581°C (Cal.)