[(25R)-5a-Spirostan-3b-Yl]4-O-(beta-D-Galactopyranosyl)-beta-D-Glucopyranoside
[CAS# 41679-10-1]

Identification

• Name: [(25R)-5a-Spirostan-3b-Yl]4-O-(beta-D-Galactopyranosyl)-beta-D-Glucopyranoside
• Synonyms: Yuccoside B; Beta-D-Glucopyranoside, (3-Beta,5-Alpha,25R)-Spirostan-3-Yl 4-O-Beta-D-Galactopyranosyl-
• Molecular Formula: C₃₉H₆₄O₁₃
• Molecular Weight: 740.93
• CAS Registry Number: 41679-10-1
• SMILES: [C@@H]23[C@@H](OC1(OCC(CC1)C)[C@H]2C)CC4[C@@]3(CCC5C4CCC8[C@@]5(CCC(O[C@@H]7O[C@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]7O)CO)C8)C)C
• InChI: 1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3/t18?,19-,20?,21?,22?,23?,24?,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,35+,36-,37-,38-,39?/m0/s1
• InChIKey: GUSVHVVOABZHAH-UQQKPTLXSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 862.844°C at 760 mmHg (Cal.)
• Flash point: 475.631°C (Cal.)