7-O-Demethylisothalicberine
[CAS# 73711-14-5]

Identification

• Name: 7-O-Demethylisothalicberine
• Synonyms: 7Odi; Thalicberan-7,12-Diol, 6,7'-Dimethoxy-2,2'-Dimethyl-, (1Alpha)-; (1Alpha)-6,7'-Dimethoxy-2,2'-Dimethylthalicberan-7,12-Diol
• Molecular Formula: C₃₆H₃₈N₂O₆
• Molecular Weight: 594.71
• CAS Registry Number: 73711-14-5
• SMILES: [C@H]16N(CCC2=CC(=C(O)C(=C12)OC4=C(OC)C=C3[C@@H](N(CCC3=C4)C)CC7=CC=C(OC5=CC(=CC=C5O)C6)C=C7)OC)C
• InChI: 1S/C36H38N2O6/c1-37-13-11-23-18-32-31(41-3)20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1
• InChIKey: BGBOSPIDMGKYDH-WUFINQPMSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 706.483°C at 760 mmHg (Cal.)
• Flash point: 381.067°C (Cal.)