3-O-beta-D-Glucopyranosyl(1-3)(beta-D-glucopyranosyl(1-4))-beta-D-glucopyranosyl-oleanolic acid-28-O-beta-D-glucopyranoside
[CAS# 144077-05-4]

Identification

• Name: 3-O-beta-D-Glucopyranosyl(1-3)(beta-D-glucopyranosyl(1-4))-beta-D-glucopyranosyl-oleanolic acid-28-O-beta-D-glucopyranoside
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2R,3R,4S,5R,6R)-5-Hydroxy-6-Methylol-3,4-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₅₄H₈₈O₂₃
• Molecular Weight: 1105.28
• CAS Registry Number: 144077-05-4
• SMILES: [C@@]56([C@@H]([C@@]4(C(C([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H]2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CO)CC4)(C)C)CC5)C)CC=C7[C@]6(CC[C@@]8([C@@H]7CC(CC8)(C)C)C(O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)=O)C)C
• InChI: 1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25-,26-,27-,28-,29?,30-,31+,32-,33-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45+,46+,47+,51+,52-,53-,54+/m1/s1
• InChIKey: MROYUZKXUGPCPD-FMGADNLDSA-N

Properties

• Density: 1.477g/cm³ (Cal.)