(3beta)-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-Olean-12-en-28-oic acid
[CAS# 156980-30-2]

Identification

• Name: (3beta)-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-Olean-12-en-28-oic acid
• Synonyms: (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-5-Hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-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,10S,12Ar,14Br)-10-[[(2S,3R,4S,5S)-5-Hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-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,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-5-Hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-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: C₄₆H₇₄O₁₆
• Molecular Weight: 883.08
• CAS Registry Number: 156980-30-2
• SMILES: [C@@]56([C@@H]([C@@]4(C(C([C@@H](O[C@@H]2OC[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]3OC[C@@H](O)[C@H](O)[C@H]3O)CC4)(C)C)CC5)C)CC=C7[C@]6(CC[C@@]8([C@@H]7CC(CC8)(C)C)C(=O)O)C)C
• InChI: 1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24-,25+,26-,27?,28-,29+,30+,31-,32+,33-,34-,35+,36-,37+,38-,39+,43+,44-,45-,46+/m1/s1
• InChIKey: QISCHUABGXFSHX-JZBACSTASA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 961.536°C at 760 mmHg (Cal.)
• Flash point: 276.356°C (Cal.)