| SpectraBase Compound ID | GK8QZT48kE0 |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,16+,20-,22+/m0/s1 |
| InChIKey | OYMQKBZMKFJPMH-VJMPXSKLSA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EM9hyIHqnHY |
|---|---|
| Name | Voacristine |
| Alternate Name(s) | Methyl (20S)-20-hydroxy-12-methoxyibogamine-18-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,16+,20-,22+/m0/s1 |
| InChIKey | OYMQKBZMKFJPMH-VJMPXSKLSA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | [nH]1c2ccc(cc2c2c1[C@]1([C@@]3([C@@]([C@@](O)(C)[H])(C[C@@](CN3CC2)(C1)[H])[H])[H])C(=O)OC)OC |
| SPLASH | splash10-00lu-4849000000-b2f20d52b9a34ecadb5f |
| Source of Spectrum | CD-5-0-0 |
| Wiley ID | 1361667 |