O-Methyltubulosine
[CAS# 5263-31-0]

Identification

• Name: O-Methyltubulosine
• Synonyms: (2S,3R,11Bs)-3-Ethyl-9,10-Dimethoxy-2-[[(1R)-6-Methoxy-2,3,4,9-Tetrahydro-1H-$B-Carbolin-1-Yl]Methyl]-2,3,4,6,7,11B-Hexahydro-1H-Pyrido[2,1-A]Isoquinoline; (-)-O-Methyltubulosine; Nsc131548
• Molecular Formula: C₃₀H₃₉N₃O₃
• Molecular Weight: 489.66
• CAS Registry Number: 5263-31-0
• SMILES: [C@@H]45C[C@H](C[C@@H]3C1=C(C2=C([NH]1)C=CC(=C2)OC)CCN3)[C@H](CN4CCC6=C5C=C(C(=C6)OC)OC)CC
• InChI: 1S/C30H39N3O3/c1-5-18-17-33-11-9-19-14-28(35-3)29(36-4)16-23(19)27(33)13-20(18)12-26-30-22(8-10-31-26)24-15-21(34-2)6-7-25(24)32-30/h6-7,14-16,18,20,26-27,31-32H,5,8-13,17H2,1-4H3/t18-,20-,26+,27-/m0/s1
• InChIKey: YQCYWTNBMKOEPG-CWYCPHMGSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 653.985°C at 760 mmHg (Cal.)
• Flash point: 349.318°C (Cal.)