16alpha-Methylyohimban
[CAS# 549-76-8]

Identification

• Name: 16alpha-Methylyohimban
• Synonyms: 4-23-00-01650 (Beilstein Handbook Reference); Brn 0091189; Yohimban, 16-Alpha-Methyl-
• Molecular Formula: C₂₀H₂₆N₂
• Molecular Weight: 294.44
• CAS Registry Number: 549-76-8
• SMILES: [C@H]34C2=C(C1=CC=CC=C1[NH]2)CCN3C[C@H]5[C@H](C4)[C@H](CCC5)C
• InChI: 1S/C20H26N2/c1-13-5-4-6-14-12-22-10-9-16-15-7-2-3-8-18(15)21-20(16)19(22)11-17(13)14/h2-3,7-8,13-14,17,19,21H,4-6,9-12H2,1H3/t13-,14-,17+,19-/m0/s1
• InChIKey: NAAXUJVMRKKKAH-PDVMFTSQSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 458.097°C at 760 mmHg (Cal.)
• Flash point: 230.849°C (Cal.)