Deacetylpicraline 3,4,5-Trimethoxybenzoate
[CAS# 102358-22-5]

Identification

• Name: Deacetylpicraline 3,4,5-Trimethoxybenzoate
• Synonyms: Dap-Tmb; Deacetylpicraline 3,4,5-Trimethoxybenzoate
• Molecular Formula: C₃₁H₃₄N₂O₈
• Molecular Weight: 562.62
• CAS Registry Number: 102358-22-5
• SMILES: N14[C@@H]3[C@]27O[C@H]1C[C@@]2(C([C@@H](C3)\C(C4)=C/C)(C(OC)=O)COC(=O)C5=CC(=C(OC)C(=C5)OC)OC)C6=CC=CC=C6N7
• InChI: 1S/C31H34N2O8/c1-6-17-15-33-24-13-20(17)29(28(35)39-5,16-40-27(34)18-11-22(36-2)26(38-4)23(12-18)37-3)30-14-25(33)41-31(24,30)32-21-10-8-7-9-19(21)30/h6-12,20,24-25,32H,13-16H2,1-5H3/b17-6-/t20-,24-,25-,29?,30-,31-/m0/s1
• InChIKey: CLCDMQIWPVOTMQ-OTIPNRPASA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 664.894°C at 760 mmHg (Cal.)
• Flash point: 355.915°C (Cal.)