Allo-Yohimbine
[CAS# 522-94-1]

Identification

• Name: Allo-Yohimbine
• Synonyms: Ncgc00025018-04; Alloyohimbin; Yohimban-16-Carboxylic Acid, 17-Hydroxy-, Methyl Ester, (16-Alpha,17-Alpha,20-Alpha)-
• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.45
• CAS Registry Number: 522-94-1
• SMILES: [C@H]34C1=C(C2=C([NH]1)C=CC=C2)CCN3C[C@@H]5[C@H](C4)[C@@H](C(=O)OC)[C@H](CC5)O
• InChI: 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1
• InChIKey: BLGXFZZNTVWLAY-FJDMERLMSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 543.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 282.2±30.1°C (Cal.)