9H-Voacangine, 9-hydroxy-
methyl (15S,17R)-17-ethyl-10-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraene-1-carboxylate
Also Known As: 9H-Voacangine, 9-hydroxy-|Voacangine hydroxyindolenine|9H-Voacangine,9-hydroxy|7-Hydroxy-1-dehydrovoacangine|7alpha-Voacangine hydroxyindolenine|VOACANGINE-7-HYDROXYINDOLININE|methyl (15S,17R)-17-ethyl-10-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraene-1-carboxylate|Ibogamine-18-carboxylic acid, 16,17-didehydro-9,17-dihydro-9-hydroxy-12-methoxy-, methyl ester, (9.alpha.)-|Ibogamine-18-carboxylic acid,17-didehydro-9,17-dihydro-9-hydroxy-12-methoxy-, methyl ester, (9.alpha.)-|Methyl (6xi,18xi)-9-hydroxy-12-methoxy-2alpha,4alpha,5xi-16,17-didehydro-9,17-dihydroibogamine-18-carboxylate
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.2049 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2049 |
| Monoisotopic Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 3464-63-9 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2CC3(C1N(C2)CCC4(C3=NC5=C4C=C(C=C5)OC)O)C(=O)OC |
| InChIKey | AVRFPRAAVSCSSZ-GSEWTJHMSA-N |
Product Overview
9H-Voacangine, 9-hydroxy- (CAS 3464-63-9), with molecular formula C22H28N2O4 and molecular weight 384.2049 g/mol. IUPAC: methyl (15S,17R)-17-ethyl-10-hydroxy-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraene-1-carboxylate.
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