Tigogenin-3-O-beta-D-Glucopyranosyl(1-2)(beta-D-Glucopyranosyl(1-3))-beta-D-Glucopyranosyl(1-4)-beta-D-Galactopyranoside
[CAS# 143049-26-7]

Identification

• Name: Tigogenin-3-O-beta-D-Glucopyranosyl(1-2)(beta-D-Glucopyranosyl(1-3))-beta-D-Glucopyranosyl(1-4)-beta-D-Galactopyranoside
• Synonyms: Beta-D-Galactopyranoside, (3-Beta,5Alpha,25R)-Spirostan-3-Yl O-Beta-D-Glucopyranosyl-(1-2)-O-(Beta-D-Glucopyranosyl-(1-3))-O-Beta-D-Glucopyranosyl-(1-4)-
• Molecular Formula: C₅₁H₈₄O₂₃
• Molecular Weight: 1065.21
• CAS Registry Number: 143049-26-7
• SMILES: [C@@H]23[C@@H](OC1(OC[C@@H](CC1)C)[C@H]2C)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)[C@]8(O[C@H]([C@H](O)[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO)O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)C)C
• InChI: 1S/C51H84O23/c1-20-7-12-50(66-19-20)21(2)32-27(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)51(74-47-42(65)39(62)35(58)30(17-54)69-47)44(71-46-41(64)38(61)34(57)29(16-53)68-46)43(36(59)31(18-55)73-51)70-45-40(63)37(60)33(56)28(15-52)67-45/h20-47,52-65H,5-19H2,1-4H3/t20-,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+,46+,47+,48+,49+,50?,51+/m1/s1
• InChIKey: JWWCJQFYNBGCAX-UOUUDHCBSA-N

Properties

• Density: 1.523g/cm³ (Cal.)