(3-Heptyl-5-Hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxyoxolan-2-Yl]Oxy-6-Heptyl-4-Hydroxybenzoate
[CAS# 120634-86-8]

Identification

• Name: (3-Heptyl-5-Hydroxyphenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxyoxolan-2-Yl]Oxy-6-Heptyl-4-Hydroxybenzoate
• Synonyms: (3-Heptyl-5-Hydroxy-Phenyl) 2-[(2S,3R,4R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-6-Heptyl-4-Hydroxy-Benzoate; 2-[[(2S,3R,4R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Oxy]-6-Heptyl-4-Hydroxybenzoic Acid (3-Heptyl-5-Hydroxyphenyl) Ester; 2-[(2S,3R,4R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-6-Heptyl-4-Hydroxy-Benzoic Acid (3-Heptyl-5-Hydroxy-Phenyl) Ester
• Molecular Formula: C₃₃H₄₈O₁₀
• Molecular Weight: 604.74
• CAS Registry Number: 120634-86-8
• SMILES: [C@@H]3(OC1=CC(=CC(=C1C(OC2=CC(=CC(=C2)CCCCCCC)O)=O)CCCCCCC)O)OC([C@H](O)[C@H]3O)[C@H](O)CO
• InChI: 1S/C33H48O10/c1-3-5-7-9-11-13-21-15-23(35)18-25(16-21)41-32(40)28-22(14-12-10-8-6-4-2)17-24(36)19-27(28)42-33-30(39)29(38)31(43-33)26(37)20-34/h15-19,26,29-31,33-39H,3-14,20H2,1-2H3/t26-,29-,30-,31?,33-/m1/s1
• InChIKey: MPAXORHHSMKMHV-ZUSOEIMYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 821.723°C at 760 mmHg (Cal.)
• Flash point: 257.442°C (Cal.)