(3beta,5alpha,25R)-3-[(4-O-beta-D-Glucopyranosyl-beta-D-Glucopyranosyl)Oxy]-Spirostan-11-One
[CAS# 150332-35-7]

Identification

• Name: (3beta,5alpha,25R)-3-[(4-O-beta-D-Glucopyranosyl-beta-D-Glucopyranosyl)Oxy]-Spirostan-11-One
• Molecular Formula: C₃₉H₆₂O₁₄
• Molecular Weight: 754.91
• CAS Registry Number: 150332-35-7
• SMILES: [C@]57([C@H](C1C([C@@]4([C@@H](CC1)CC(O[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@H]3O)CO)CC4)C)C(=O)C5)CC8OC6(OC[C@@H](CC6)C)[C@H](C78)C)C
• InChI: 1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)27-24(53-39)12-22-21-6-5-19-11-20(8-9-37(19,3)28(21)23(42)13-38(22,27)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-22,24-36,40-41,43-47H,5-16H2,1-4H3/t17-,18+,19+,20?,21?,22+,24?,25-,26-,27?,28?,29-,30+,31-,32-,33-,34-,35-,36+,37+,38+,39?/m1/s1
• InChIKey: VWMZIGBYZQUQOA-VPBLSHMLSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 892.194°C at 760 mmHg (Cal.)
• Flash point: 268.913°C (Cal.)