2,2'-Dimethyl-6,7,7'-trimethoxythalicberan-12-ol
[CAS# 602-83-5]

Identification

• Name: 2,2'-Dimethyl-6,7,7'-trimethoxythalicberan-12-ol
• Synonyms: Thalicberan-12-Ol, 2,2'-Dimethyl-6,7,7'-Trimethoxy-; Thalicberin
• Molecular Formula: C₃₇H₄₀N₂O₆
• Molecular Weight: 608.73
• CAS Registry Number: 602-83-5
• SMILES: [C@@H]16N(CCC2=C(OC)C(=CC(=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/C37H40N2O6/c1-38-14-12-24-19-33-32(41-3)20-27(24)28(38)16-22-6-9-25(10-7-22)44-31-18-23(8-11-30(31)40)17-29-36-26(13-15-39(29)2)37(43-5)35(42-4)21-34(36)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
• InChIKey: LHHQCRRWQAFSJM-VMPREFPWSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 711.377°C at 760 mmHg (Cal.)
• Flash point: 384.027°C (Cal.)