3-O-((beta-D-Glucopyranosyl-(1-4)-beta-D-Glucopyranosyl-(1-3))-(beta-D-Glucopyranosyl-(1-2))-beta-D-Fucopyranosyl)-13beta,28-Epoxyolea-11-Ene-3beta,16beta,23-Triol
[CAS# 155762-41-7]

Identification

• Name: 3-O-((beta-D-Glucopyranosyl-(1-4)-beta-D-Glucopyranosyl-(1-3))-(beta-D-Glucopyranosyl-(1-2))-beta-D-Fucopyranosyl)-13beta,28-Epoxyolea-11-Ene-3beta,16beta,23-Triol
• Synonyms: Clinopodiside B; Songarosaponin D; Beta-D-Galactopyranoside, (3-Beta,4Alpha,16Beta)-13,28-Epoxy-16,23-Dihydroxyolean-11-En-3-Yl O-Beta-D-Glucopyranosyl-(1-2)-O-(O-Beta-D-Glucopyranosyl-(1-4)-Beta-D-Glucopyranosyl-(1-3))-6-Deoxy-
• Molecular Formula: C₅₄H₈₈O₂₃
• Molecular Weight: 1105.28
• CAS Registry Number: 155762-41-7
• SMILES: [C@@H]%10(O[C@@H]9[C@H](O[C@@H](O[C@H]7[C@H]([C@H](O[C@@H](O[C@H]5CC[C@@]4([C@H]3C=CC26[C@@H]1CC(CCC1([C@H](C[C@]2([C@@]3(CC[C@H]4[C@]5(C)CO)C)C)O)CO6)(C)C)C)[C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)C)O)[C@@H]([C@H]9O)O)CO)O[C@@H]([C@H]([C@@H]([C@H]%10O)O)O)CO
• InChI: 1S/C54H88O23/c1-23-32(60)42(76-46-40(68)37(65)41(26(20-57)73-46)75-44-38(66)35(63)33(61)24(18-55)71-44)43(77-45-39(67)36(64)34(62)25(19-56)72-45)47(70-23)74-31-10-11-49(4)27(50(31,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+,53?,54?/m1/s1
• InChIKey: OSGFJRKJEPQTRB-VQCUNJLYSA-N

Properties

• Density: 1.494g/cm³ (Cal.)