(2beta,3beta,4alpha,20beta)-3-((4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-Oleana-9(11),12-diene-28,29-dioic acid 28-beta-D-glucopyranosyl 29-methyl ester
[CAS# 143381-60-6]

Identification

• Name: (2beta,3beta,4alpha,20beta)-3-((4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-Oleana-9(11),12-diene-28,29-dioic acid 28-beta-D-glucopyranosyl 29-methyl ester
• Synonyms: O2-Methyl O4a-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] 10-[3,4-Dihydroxy-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-1,3,4,5,6,7,8,8A,10,11,12,14B-Dodecahydropicene-2,4A-Dicarboxylate; 10-[[3,4-Dihydroxy-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-1,3,4,5,6,7,8,8A,10,11,12,14B-Dodecahydropicene-2,4A-Dicarboxylic Acid O2-Methyl O4a-[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; 10-[3,4-Dihydroxy-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-11-Hydroxy-2,6A,6B,9,12A-Pentamethyl-9-Methylol-1,3,4,5,6,7,8,8A,10,11,12,14B-Dodecahydropicene-2,4A-Dicarboxylic Acid O2-Methyl O4a-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl) Ester
• Molecular Formula: C₄₈H₇₄O₂₁
• Molecular Weight: 987.10
• CAS Registry Number: 143381-60-6
• SMILES: C(C6(C5C(C4=CC=C3C2C(C(OC1C(C(O)C(C(O1)CO)O)O)=O)(CCC(C2)(C(=O)OC)C)CCC3(C4(C)CC5)C)(CC(C6OC7C(C(O)C(CO7)OC8C(C(O)C(C(O8)CO)O)O)O)O)C)C)O
• InChI: 1S/C48H74O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7-8,22-27,29-40,49-60H,9-20H2,1-6H3
• InChIKey: DDDHUKSRQZZNCR-UHFFFAOYSA-N

Properties

• Density: 1.501g/cm³ (Cal.)
• Boiling point: 1056.542°C at 760 mmHg (Cal.)
• Flash point: 300.318°C (Cal.)