[3beta-[(4-O-beta-D-Glucopyranosyl-6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-26-(beta-D-Glucopyranosyloxy)-22alpha-Hydroxy-5beta-Furost-25(27)-En-1beta-Yl]2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranoside
[CAS# 52591-05-6]

Identification

• Name: [3beta-[(4-O-beta-D-Glucopyranosyl-6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-26-(beta-D-Glucopyranosyloxy)-22alpha-Hydroxy-5beta-Furost-25(27)-En-1beta-Yl]2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranoside
• Synonyms: Convallamaroside
• Molecular Formula: C₅₇H₉₄O₂₇
• Molecular Weight: 1211.35
• CAS Registry Number: 52591-05-6
• SMILES: [C@]78([C@H]([C@H]1[C@@H]([C@@]4([C@H](CC1)C[C@@H](O[C@@H]3O[C@H]([C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O)[C@H]3O)C)C[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)C)C)CC7)C[C@@H]9O[C@@](O)([C@H]([C@H]89)C)CCC(CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)=C)C
• InChI: 1S/C57H94O27/c1-20(19-74-50-44(69)40(65)37(62)31(17-58)79-50)10-13-57(73)21(2)34-30(84-57)16-29-27-9-8-25-14-26(78-51-47(72)43(68)48(24(5)77-51)82-53-46(71)41(66)38(63)32(18-59)80-53)15-33(56(25,7)28(27)11-12-55(29,34)6)81-54-49(42(67)36(61)23(4)76-54)83-52-45(70)39(64)35(60)22(3)75-52/h21-54,58-73H,1,8-19H2,2-7H3/t21-,22-,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49+,50+,51-,52-,53-,54-,55-,56-,57+/m0/s1
• InChIKey: FNDDEEUISKKDMU-VQDATVTDSA-N

Properties

• Density: 1.516g/cm³ (Cal.)