12-Hydroxycimigenol-3-O-Xylopyranoside
[CAS# 152685-90-0]

Identification

• Name: 12-Hydroxycimigenol-3-O-Xylopyranoside
• Synonyms: 12Beta-Hydroxycimigenol 3-(Beta-D-Xylopyranoside); 12Beta-Hydroxycimigenol-3-O-Beta-D-Xylopyranoside; Beta-D-Xylopyranoside, (3Beta,12Beta,15Alpha,16Alpha,23R,24S)-16,23:16,24-Diepoxy-12,15,25-Trihydroxy-9,19-Cyclolanostan-3-Yl
• Molecular Formula: C₃₅H₅₆O₁₀
• Molecular Weight: 636.82
• CAS Registry Number: 152685-90-0
• SMILES: [C@@]37([C@@]([C@@H]2C1(OC(C(O1)C(O)(C)C)C[C@H]2C)[C@@H]3O)([C@H](O)CC48C6(C4)C(C(C(O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC6)(C)C)CCC78)C)C
• InChI: 1S/C35H56O10/c1-16-12-18-26(30(4,5)41)45-35(44-18)25(16)32(7)21(37)13-34-15-33(34)11-10-22(43-27-24(39)23(38)17(36)14-42-27)29(2,3)19(33)8-9-20(34)31(32,6)28(35)40/h16-28,36-41H,8-15H2,1-7H3/t16-,17-,18?,19?,20?,21-,22?,23+,24-,25-,26?,27+,28-,31-,32-,33?,34?,35?/m1/s1
• InChIKey: JKPGINPCCVKTKQ-YCOQZNGPSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 771.382°C at 760 mmHg (Cal.)
• Flash point: 420.317°C (Cal.)