17-alpha-Hydroxy-Yohimban-16-alpha-carboxylic acid ethyl ester
[CAS# 73840-32-1]

Identification

• Name: 17-alpha-Hydroxy-Yohimban-16-alpha-carboxylic acid ethyl ester
• Synonyms: A 38; Brn 6119015; Yohimban-16-Alpha-Carboxylic Acid, 17-Alpha-Hydroxy-, Ethyl Ester
• Molecular Formula: C₂₂H₂₈N₂O₃
• Molecular Weight: 368.47
• CAS Registry Number: 73840-32-1
• SMILES: [C@H]13C4=C(CCN1C[C@@H]2CC[C@@H]([C@@H]([C@H]2C3)C(=O)OCC)O)C5=C([NH]4)C=CC=C5
• InChI: 1S/C22H28N2O3/c1-2-27-22(26)20-16-11-18-21-15(14-5-3-4-6-17(14)23-21)9-10-24(18)12-13(16)7-8-19(20)25/h3-6,13,16,18-20,23,25H,2,7-12H2,1H3/t13-,16-,18-,19-,20+/m0/s1
• InChIKey: ZYVPSCRTENVKPN-ZQCVIMGFSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 551.82°C at 760 mmHg (Cal.)
• Flash point: 287.53°C (Cal.)