Smilagenin 3-O-(beta-D-Glucopyranosyl 1-2)-beta-D-Mannopyranoside
[CAS# 138831-68-2]

Identification

• Name: Smilagenin 3-O-(beta-D-Glucopyranosyl 1-2)-beta-D-Mannopyranoside
• Synonyms: Smilageninoside
• Molecular Formula: C₃₉H₆₄O₁₃
• Molecular Weight: 740.93
• CAS Registry Number: 138831-68-2
• SMILES: [C@H]8(OC1CC[C@]4(C(C1)CCC5C3C[C@@H]2OC6([C@H]([C@@H]2[C@@]3(C)CCC45)C)OC[C@@H](CC6)C)C)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)[C@@H](O)[C@H](O)[C@H](O8)CO
• 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)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/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?/m1/s1
• InChIKey: MMTWXUQMLQGAPC-ZKXXMABPSA-N