7-Hydroxy-1-Dehydrovoacangine
[CAS# 3464-63-9]

Identification

• Name: 7-Hydroxy-1-Dehydrovoacangine
• Synonyms: 9H-Voacangine, 9-Hydroxy-; Ibogamine-18-Carboxylic Acid, 16,17-Didehydro-9,17-Dihydro-9-Hydroxy-12-Methoxy-, Methyl Ester, (9.Alpha.)-; Nsc306220
• Molecular Formula: C₂₂H₂₈N₂O₄
• Molecular Weight: 384.47
• CAS Registry Number: 3464-63-9
• SMILES: [C@H]15CC2(C(N(C1)CCC3(O)C2=NC4=C3C=C(OC)C=C4)[C@@H](C5)CC)C(OC)=O
• InChI: 1S/C22H28N2O4/c1-4-14-9-13-11-21(20(25)28-3)18(14)24(12-13)8-7-22(26)16-10-15(27-2)5-6-17(16)23-19(21)22/h5-6,10,13-14,18,26H,4,7-9,11-12H2,1-3H3/t13-,14+,18?,21?,22?/m0/s1
• InChIKey: AVRFPRAAVSCSSZ-GSEWTJHMSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 529.889°C at 760 mmHg (Cal.)
• Flash point: 274.267°C (Cal.)