(15S,16E)-16,17,20,21-Tetradehydro-16-Formyl-18,19-Secoyohimban-19-Oic Acid Methyl Ester
[CAS# 5523-37-5]

Identification

• Name: (15S,16E)-16,17,20,21-Tetradehydro-16-Formyl-18,19-Secoyohimban-19-Oic Acid Methyl Ester
• Synonyms: Methyl (2S)-2-[(E)-1-Formylprop-1-Enyl]-1,2,6,7,12,12B-Hexahydroindolo[3,2-H]Quinolizine-3-Carboxylate; (2S)-2-[(E)-1-Formylprop-1-Enyl]-1,2,6,7,12,12B-Hexahydroindolo[3,2-H]Quinolizine-3-Carboxylic Acid Methyl Ester; (2S)-2-[(E)-1-Formylprop-1-Enyl]-1,2,6,7,12,12B-Hexahydropyrido[6,1-A]$B-Carboline-3-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₁H₂₂N₂O₃
• Molecular Weight: 350.42
• CAS Registry Number: 5523-37-5
• SMILES: [C@@H]4(C(=CN3C(C1=C(C2=C([NH]1)C=CC=C2)CC3)C4)C(OC)=O)\C(C=O)=C/C
• InChI: 1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19?/m0/s1
• InChIKey: NTVLUSJWJRSPSM-QOGBKHAWSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 566.837°C at 760 mmHg (Cal.)
• Flash point: 296.612°C (Cal.)