(1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol
[CAS# 97399-82-1]

Identification

• Name: (1S,2R)-1-(4-Hydroxy-3-methoxyphenyl)-2-{4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1,3-propanediol
• Molecular Formula: C₃₁H₃₆O₁₁
• Molecular Weight: 584.61
• CAS Registry Number: 97399-82-1
• SMILES: COC1=CC(=CC(=C1O[C@H](CO)[C@H](C2=CC(=C(C=C2)O)OC)O)OC)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C=C5)O)OC
• InChI: 1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3/t19-,20-,27+,28-,29+,30+/m0/s1
• InChIKey: DVTIDVKFFJRCAB-PEVOTWPUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 818.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 448.7±34.3°C (Cal.)