[(25S)-5beta-Spirostan-3beta-Yl]4-O-(2-O-alpha-D-Galactopyranosyl-beta-D-Glucopyranosyl)-beta-D-Glucopyranoside
[CAS# 55826-88-5]

Identification

• Name: [(25S)-5beta-Spirostan-3beta-Yl]4-O-(2-O-alpha-D-Galactopyranosyl-beta-D-Glucopyranosyl)-beta-D-Glucopyranoside
• Synonyms: Beta-D-Glucopyranoside, (3Beta,5Beta,25S)-Spirostan-3-Yl O-Alpha-D-Galactopyranosyl-(1-2)-O-Beta-D-Glucopyranosyl-(1-4)-; Yuccoside C
• Molecular Formula: C₄₅H₇₄O₁₈
• Molecular Weight: 903.07
• CAS Registry Number: 55826-88-5
• SMILES: [C@@H]34C[C@H]1[C@H]([C@@H]([C@]2(O1)CC[C@H](CO2)C)C)[C@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@@H]([C@H]([C@H]([C@@H](CO)O9)O)O)O)CO)C)C
• InChI: 1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-/m1/s1
• InChIKey: JNTJNUDLVQQYGM-FTILQGHWSA-N

Properties

• Density: 1.444g/cm³ (Cal.)