3alpha-[[4-O-beta-D-Glucopyranosyl-3-O-beta-D-Galactopyranosyl-beta-D-Glucopyranosyl]Oxy]Olean-12-En-28-Oic Acid
[CAS# 53043-29-1]

Identification

• Name: 3alpha-[[4-O-beta-D-Glucopyranosyl-3-O-beta-D-Galactopyranosyl-beta-D-Glucopyranosyl]Oxy]Olean-12-En-28-Oic Acid
• Synonyms: (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[(2R,3R,4R,5R,6R)-3-Hydroxy-6-(Hydroxymethyl)-4,5-Bis[[(2S,3R,4S,5R,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-Carboxylic Acid; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[[(2R,3R,4R,5R,6R)-3-Hydroxy-6-(Hydroxymethyl)-4,5-Bis[[(2S,3R,4S,5R,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; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[(2R,3R,4R,5R,6R)-3-Hydroxy-6-Methylol-4,5-Bis[[(2S,3R,4S,5R,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
• Molecular Formula: C₄₈H₇₈O₁₈
• Molecular Weight: 943.13
• CAS Registry Number: 53043-29-1
• SMILES: [C@]58(C(=CC[C@@H]6[C@]4(CC[C@H](O[C@H]2[C@@H]([C@@H](O[C@H]1[C@@H]([C@@H](O)[C@H]([C@H](O1)CO)O)O)[C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)O)C([C@@H]4CC[C@@]56C)(C)C)C)[C@@H]7CC(C)(C)CC[C@@]7(CC8)C(=O)O)C
• InChI: 1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1
• InChIKey: TYICKMXQSIBGGU-MFGNEZQYSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 1024.738°C at 760 mmHg (Cal.)
• Flash point: 291.371°C (Cal.)