3-O-(beta-D-Glucopyranosyl(1-4)-beta-D-xylopyranosyl(1-4)-beta-D-glucopyranosyl)jaligonic acid
[CAS# 139163-19-2]

Identification

• Name: 3-O-(beta-D-Glucopyranosyl(1-4)-beta-D-xylopyranosyl(1-4)-beta-D-glucopyranosyl)jaligonic acid
• Synonyms: 10-[4-[3,4-Dihydroxy-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; 10-[[4-[[3,4-Dihydroxy-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; 10-[4-[3,4-Dihydroxy-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-11-Hydroxy-2,6A,6B,9,12A-Pentamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid
• Molecular Formula: C₄₇H₇₄O₂₁
• Molecular Weight: 975.09
• CAS Registry Number: 139163-19-2
• SMILES: C(O)C5(C4C(C1C(C2(C(=CC1)C3C(CC2)(CCC(C3)(C(=O)O)C)C(=O)O)C)(CC4)C)(CC(O)C5OC8OC(C(O)C(OC7OCC(OC6OC(C(O)C(O)C6O)CO)C(O)C7O)C8O)CO)C)C
• InChI: 1S/C47H74O21/c1-42(40(59)60)10-12-47(41(61)62)13-11-45(4)20(21(47)14-42)6-7-27-43(2)15-22(51)36(44(3,19-50)26(43)8-9-46(27,45)5)68-39-34(58)35(30(54)24(17-49)65-39)67-37-32(56)29(53)25(18-63-37)66-38-33(57)31(55)28(52)23(16-48)64-38/h6,21-39,48-58H,7-19H2,1-5H3,(H,59,60)(H,61,62)
• InChIKey: DQEHJIYKDAIEDH-UHFFFAOYSA-N