| SpectraBase Compound ID | AQcxES4Y7qX |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14+,16-,17-,20-/m1/s1 |
| InChIKey | WMMZYEBFJWWUJX-CSENRNQMSA-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 | 2Gr39nz76e |
|---|---|
| Name | 16-Epivenenatine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14+,16-,17-,20-/m1/s1 |
| InChIKey | WMMZYEBFJWWUJX-CSENRNQMSA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | [nH]1c2cccc(c2c2c1[C@]1(C[C@@]3([C@]([C@@](CC[C@@]3(CN1CC2)[H])(O)[H])(C(=O)OC)[H])[H])[H])OC |
| SPLASH | splash10-001i-0319000000-4b6be42a16a321a5fff1 |
| Source of Spectrum | F7-12-382-108 |
| Synonyms | Methyl (1R,15S,18R,19R,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Methyl (1R,15S,18R,19R,20S)-8-methoxy-18-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Wiley ID | 1556776 |