[(25R)-Spirost-5-En-3beta-Yl]4-O-beta-D-Glucopyranosyl-beta-D-Galactopyranoside
[CAS# 60454-77-5]

Identification

• Name: [(25R)-Spirost-5-En-3beta-Yl]4-O-beta-D-Glucopyranosyl-beta-D-Galactopyranoside
• Synonyms: Capsicoside B3; Funkioside C; Beta-D-Galactopyranoside, (3-Beta,25R)-Spirost-5-En-3-Yl 4-O-Beta-D-Glucopyranosyl-
• Molecular Formula: C₃₉H₆₂O₁₃
• Molecular Weight: 738.91
• CAS Registry Number: 60454-77-5
• SMILES: [C@H]8(OC6CC[C@]3(C(=CCC4C2C[C@@H]1O[C@]5([C@H]([C@@H]1[C@@]2(C)CCC34)C)OC[C@@H](CC5)C)C6)C)[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)[C@H](O8)CO
• InChI: 1S/C39H62O13/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/h5,18-19,21-36,40-46H,6-17H2,1-4H3/t18-,19+,21?,22?,23?,24?,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38+,39-/m1/s1
• InChIKey: OBVNUYXMOLOYPW-SNOMKWOZSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 872.732°C at 760 mmHg (Cal.)
• Flash point: 481.611°C (Cal.)