3-O-Glucopyranosyl(1-2)glucuronopyranosyl(1-6)glucopyranosyl 28-O-xylopyranosyl-olean-12-en-28-oic acid ester
[CAS 143114-86-7]

Identification

• Name: 3-O-Glucopyranosyl(1-2)glucuronopyranosyl(1-6)glucopyranosyl 28-O-xylopyranosyl-olean-12-en-28-oic acid ester
• Synonyms: 6-[[6-[[4,4,6A,6B,11,11,14B-Heptamethyl-8A-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxycarbonyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-3,4-Dihydroxy-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[6-[[4,4,6A,6B,11,11,14B-Heptamethyl-8A-[Oxo-[(3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]Methyl]-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methoxy]-3,4-Dihydroxy-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyrancarboxylic Acid; 6-[[6-[[4,4,6A,6B,11,11,14B-Heptamethyl-8A-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxycarbonyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-3,4-Dihydroxy-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₅₃H₈₄O₂₃
• Molecular Weight: 1089.23
• CAS Registry Number: 143114-86-7
• SMILES: C(OC1C(C(O)C(C(O1)C(=O)O)O)OC2C(C(O)C(C(O2)CO)O)O)C9C(O)C(C(C(OC5C(C4CCC3(C7(C(=CCC3C4(CC5)C)C6CC(C)(C)CCC6(CC7)C(OC8C(C(O)C(CO8)O)O)=O)C)C)(C)C)O9)O)O
• InChI: 1S/C53H84O23/c1-48(2)14-16-53(47(68)76-43-37(63)30(56)24(55)20-69-43)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-44-38(64)34(60)32(58)26(72-44)21-70-46-41(36(62)35(61)40(74-46)42(66)67)75-45-39(65)33(59)31(57)25(19-54)71-45/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)
• InChIKey: ONZJEHSXUQSQCU-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)