Ethyl 4-[2-phenyl-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,3-benzodioxol-2-yl]benzoate
[CAS# 94139-05-6]

Identification

• Name: Ethyl 4-[2-phenyl-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-1,3-benzodioxol-2-yl]benzoate
• Synonyms: ethyl (2R-trans)-4-[5-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2-phenyl-1,3-benzodioxol-2-yl]benzoate
• Molecular Formula: C₃₁H₂₆O₈
• Molecular Weight: 526.53
• CAS Registry Number: 94139-05-6
• EINECS: 303-020-0
• SMILES: CCOC(=O)c1ccc(cc1)C2(Oc3ccc(cc3O2)C4Oc5cc(O)cc(O)c5CC4O)c6ccccc6
• InChI: 1S/C31H26O8/c1-2-36-30(35)18-8-11-21(12-9-18)31(20-6-4-3-5-7-20)38-26-13-10-19(14-28(26)39-31)29-25(34)17-23-24(33)15-22(32)16-27(23)37-29/h3-16,25,29,32-34H,2,17H2,1H3
• InChIKey: BFAZTBZPPMMBNB-UHFFFAOYSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 737.662°C at 760 mmHg (Cal.)
• Flash point: 244.879°C (Cal.)