Venenatine
[CAS# 1055-75-0]

Identification

• Name: Venenatine
• Synonyms: Nsc 339139; Venenatine; Yohimban-16-Carboxylic Acid, 17-Hydroxy-9-Methoxy-, Methyl Ester, (3-Beta,16-Beta,17-Beta,20-Alpha)-
• Molecular Formula: C₂₂H₂₈N₂O₄
• Molecular Weight: 384.47
• CAS Registry Number: 1055-75-0
• SMILES: [C@@H]34C1=C(C2=C([NH]1)C=CC=C2OC)CCN3C[C@@H]5[C@H](C4)[C@H](C(=O)OC)[C@@H](CC5)O
• InChI: 1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14+,16-,17-,20+/m1/s1
• InChIKey: WMMZYEBFJWWUJX-YCSGKXEJSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 571.283°C at 760 mmHg (Cal.)
• Flash point: 299.301°C (Cal.)