beta-D-Glucopyranosyl-(1->2)-beta-D-glucopyranosyl beta-D-glucopyranosyl-(1->2)-6-deoxy-1-C-[(5xi,9xi,13xi,17xi,18alpha)-23-hydroxy-13,28-epoxyolean-11-en-3-yl]-beta-D-glucopyranoside
[CAS# 141544-48-1]

Identification

• Name: beta-D-Glucopyranosyl-(1->2)-beta-D-glucopyranosyl beta-D-glucopyranosyl-(1->2)-6-deoxy-1-C-[(5xi,9xi,13xi,17xi,18alpha)-23-hydroxy-13,28-epoxyolean-11-en-3-yl]-beta-D-glucopyranoside
• Synonyms: 3-O-((β-D-Glucopyranosyl(1-4))-(β-D-glucopyranosyl(1-3))-(β-D-glucopyranosyl(1-2))-β-D-fucopyranosyl)-13,28-epoxyolea-11-ene-3,23,-diol; Songarosaponin C
• Molecular Formula: C₅₄H₈₈O₂₂
• Molecular Weight: 1089.26
• CAS Registry Number: 141544-48-1
• SMILES: O%10[C@@H](O[C@@]2(O[C@@H]([C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)C5CC[C@]4(C)C6\C=C/C83OCC7(CC[C@@]3(C)[C@]6(C)CCC4C5(C)CO)CCC(C)(C)C[C@@H]78)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]%10CO
• InChI: 1S/C54H88O22/c1-24-32(59)39(66)43(74-45-41(68)37(64)34(61)26(20-56)71-45)54(75-24,76-46-42(38(65)35(62)27(21-57)72-46)73-44-40(67)36(63)33(60)25(19-55)70-44)30-8-11-48(4)28(49(30,5)22-58)9-12-50(6)29(48)10-13-53-31-18-47(2,3)14-16-52(31,23-69-53)17-15-51(50,53)7/h10,13,24-46,55-68H,8-9,11-12,14-23H2,1-7H3/t24-,25-,26-,27-,28?,29?,30?,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,48+,49?,50-,51+,52?,53?,54+/m1/s1
• InChIKey: QCTOOMMAXGMSIZ-UWEADKLSSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Refractive index: 1.647 (Cal.)