16,17-Didehydro-Yohimban-16-carboxylic acid methyl ester
[CAS# 2671-50-3]

Identification

• Name: 16,17-Didehydro-Yohimban-16-carboxylic acid methyl ester
• Synonyms: Yohimban-16-Carboxylic Acid, 16,17-Didehydro-, Methyl Ester; Apoyohimbine; Nsc121853
• Molecular Formula: C₂₁H₂₄N₂O₂
• Molecular Weight: 336.43
• CAS Registry Number: 2671-50-3
• SMILES: C2=C1C5=C([NH]C1=CC=C2)C3N(CC4C(C3)C(=CCC4)C(OC)=O)CC5
• InChI: 1S/C21H24N2O2/c1-25-21(24)16-7-4-5-13-12-23-10-9-15-14-6-2-3-8-18(14)22-20(15)19(23)11-17(13)16/h2-3,6-8,13,17,19,22H,4-5,9-12H2,1H3
• InChIKey: DFDNBRUSLQYVNA-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 510.306°C at 760 mmHg (Cal.)
• Flash point: 262.424°C (Cal.)