[(22S,25S)-26-(beta-D-Glucopyranosyloxy)-22-Hydroxy-5beta-Furostan-3beta-Yl]4-O-(6-Deoxy-alpha-L-Mannopyranosyl)-2-O:6-O-Di(beta-D-Glucopyranosyl)-beta-D-Glucopyranoside
[CAS# 24333-07-1]

Identification

• Name: [(22S,25S)-26-(beta-D-Glucopyranosyloxy)-22-Hydroxy-5beta-Furostan-3beta-Yl]4-O-(6-Deoxy-alpha-L-Mannopyranosyl)-2-O:6-O-Di(beta-D-Glucopyranosyl)-beta-D-Glucopyranoside
• Synonyms: Sarsaparilloside
• Molecular Formula: C₅₇H₉₆O₂₈
• Molecular Weight: 1229.37
• CAS Registry Number: 24333-07-1
• SMILES: [C@]78([C@H]([C@H]1[C@@H]([C@@]6([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)C)[C@H](O)[C@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CC6)C)CC7)C[C@@H]9O[C@@](O)([C@H]([C@H]89)C)CC[C@@H](CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)C)C
• InChI: 1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3/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: SUHZCFHVHYUSEP-UVSPAHOSSA-N

Properties

• Density: 1.535g/cm³ (Cal.)