(25R)-3beta-[[4-O-(4-O-beta-D-Glucopyranosyl-beta-D-Glucopyranosyl)-beta-D-Galactopyranosyl]Oxy]-5alpha-Spirostan-12-One
[CAS# 56316-35-9]

Identification

• Name: (25R)-3beta-[[4-O-(4-O-beta-D-Glucopyranosyl-beta-D-Glucopyranosyl)-beta-D-Galactopyranosyl]Oxy]-5alpha-Spirostan-12-One
• Synonyms: Agavoside C'; Spirostan-12-One, 3-((O-Beta-D-Glucopyranosyl-(1-4)-O-Beta-D-Glucopyranosyl-(1-4)-Beta-D-Galactopyranosyl)Oxy)-, (3-Beta,5-Alpha,25R)-
• Molecular Formula: C₄₅H₇₂O₁₉
• Molecular Weight: 917.05
• CAS Registry Number: 56316-35-9
• SMILES: [C@]68([C@H]([C@H]1[C@@H]([C@@]5([C@@H](CC1)C[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)CO)CC5)C)CC6=O)C[C@@H]9OC7(OCC(CC7)C)[C@H]([C@H]89)C)C
• InChI: 1S/C45H72O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-42-39(63-41-37(56)35(54)32(51)27(15-47)60-41)38(33(52)28(16-48)61-42)62-40-36(55)34(53)31(50)26(14-46)59-40/h18-28,30-42,46-48,50-56H,5-17H2,1-4H3/t18?,19-,20-,21-,22+,23-,24-,25-,26+,27+,28+,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+,40-,41-,42+,43-,44+,45?/m0/s1
• InChIKey: VGWBUQPQZOSEEG-NNHMZJIGSA-N

Properties

• Density: 1.474g/cm³ (Cal.)