2,6-Dimethyl-6-(3-O-(beta-Glucopyranosyl)-4-O-(2-Methylbutyroyl)alpha-Arabinopyranosyloxy)-2,7-Octadienoic Acid
[CAS# 92751-84-3]

Identification

• Name: 2,6-Dimethyl-6-(3-O-(beta-Glucopyranosyl)-4-O-(2-Methylbutyroyl)alpha-Arabinopyranosyloxy)-2,7-Octadienoic Acid
• Synonyms: (2E)-6-[3-Hydroxy-5-(2-Methylbutanoyloxy)-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2,6-Dimethyl-Octa-2,7-Dienoic Acid; (2E)-6-[[3-Hydroxy-5-(2-Methyl-1-Oxobutoxy)-4-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrah
• Molecular Formula: C₂₆H₄₂O₁₃
• Molecular Weight: 562.61
• CAS Registry Number: 92751-84-3
• SMILES: C(C1C(C(C(C(O1)OC2C(COC(C2O)OC(CC\C=C(C(O)=O)/C)(C=C)C)OC(=O)C(C)CC)O)O)O)O
• InChI: 1S/C26H42O13/c1-6-13(3)23(34)36-16-12-35-24(39-26(5,7-2)10-8-9-14(4)22(32)33)20(31)21(16)38-25-19(30)18(29)17(28)15(11-27)37-25/h7,9,13,15-21,24-25,27-31H,2,6,8,10-12H2,1,3-5H3,(H,32,33)/b14-9+
• InChIKey: GNYMPFHKNUOPMB-NTEUORMPSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 774.585°C at 760 mmHg (Cal.)
• Flash point: 250.676°C (Cal.)