(3beta,20alpha,21alpha)-20-carboxy-30-norolean-11-ene-3,21-diylbis-beta-D-Glucopyranosiduronic acid
[CAS# 139163-13-6]

Identification

• Name: (3beta,20alpha,21alpha)-20-carboxy-30-norolean-11-ene-3,21-diylbis-beta-D-Glucopyranosiduronic acid
• Synonyms: 6-[[11-Carboxy-10-(6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl)Oxy-4,4,6A,6B,8A,11,14B-Heptamethyl-1,2,3,4A,5,6,7,8,9,10,12,14A-Dodecahydropicen-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[11-Carboxy-10-[(6-Carboxy-3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]-4,4,6A,6B,8A,11,14B-Heptamethyl-1,2,3,4A,5,6,7,8,9,10,12,14A-Dodecahydropicen-3-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; 6-[[11-Carboxy-10-(6-Carboxy-3,4,5-Trihydroxy-Oxan-2-Yl)Oxy-4,4,6A,6B,8A,11,14B-Heptamethyl-1,2,3,4A,5,6,7,8,9,10,12,14A-Dodecahydropicen-3-Yl]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₄₂H₆₂O₁₆
• Molecular Weight: 822.94
• CAS Registry Number: 139163-13-6
• SMILES: CC47C1(C(=C3C(CC1)(CC(OC2OC(C(O)C(O)C2O)C(=O)O)C(C3)(C(=O)O)C)C)C=CC4C6(C(C(C(OC5OC(C(O)C(O)C5O)C(=O)O)CC6)(C)C)CC7)C)C
• InChI: 1S/C42H62O16/c1-37(2)20-10-13-42(7)21(39(20,4)12-11-22(37)55-34-28(47)24(43)26(45)30(57-34)32(49)50)9-8-18-19-16-40(5,36(53)54)23(17-38(19,3)14-15-41(18,42)6)56-35-29(48)25(44)27(46)31(58-35)33(51)52/h8-9,20-31,34-35,43-48H,10-17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)
• InChIKey: ARPNYYIWKXHRTH-UHFFFAOYSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 968.751°C at 760 mmHg (Cal.)
• Flash point: 287.269°C (Cal.)