(19alpha,20alpha)-16,17-Didehydro-19-Methyl-Oxayohimban-16-Carboxylic Acid Compd. With 2-Aminoethanol (1:1)
[CAS# 77754-96-2]

Identification

• Name: (19alpha,20alpha)-16,17-Didehydro-19-Methyl-Oxayohimban-16-Carboxylic Acid Compd. With 2-Aminoethanol (1:1)
• Synonyms: Tetrahydroalstonate D'aminoethanol [French]
• Molecular Formula: C₂₂H₂₉N₃O₄
• Molecular Weight: 399.49
• CAS Registry Number: 77754-96-2
• SMILES: [C@@H]15[C@@H](CN4[C@@H](C1)C3=C(C2=CC=CC=C2[NH]3)CC4)[C@@H](OC=C5C(=O)O)C.C(O)CN
• InChI: 1S/C20H22N2O3.C2H7NO/c1-11-15-9-22-7-6-13-12-4-2-3-5-17(12)21-19(13)18(22)8-14(15)16(10-25-11)20(23)24;3-1-2-4/h2-5,10-11,14-15,18,21H,6-9H2,1H3,(H,23,24);4H,1-3H2/t11-,14-,15-,18-;/m0./s1
• InChIKey: SPGGZGIRJNEIIO-BEXXLDLDSA-N

Properties

• Boiling point: 552.7°C at 760 mmHg (Cal.)
• Flash point: 288.1°C (Cal.)