| SpectraBase Compound ID | CWe4GAVHEij |
|---|---|
| InChI | InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19?/m1/s1 |
| InChIKey | LELBFTMXCIIKKX-JLIIPWMNSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C23H30N2O4 |
| Exact Mass | 398.220557 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 41bW1gGRIDN |
|---|---|
| Name | Mitragynine |
| Catalog Number | 11151 |
| CAS Registry Number | 4098-40-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30N2O4 |
| InChI | InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19?/m1/s1 |
| InChIKey | LELBFTMXCIIKKX-JLIIPWMNSA-N |
| Molecular Weight | 398.503 g/mol |
| SMILES | [nH]1c2c(c3c(cccc13)OC)CCN1C2C[C@@]([C@@](C1)(CC)[H])(\C(=C/OC)C(=O)OC)[H] |
| SPLASH | splash10-01ot-2985000000-21e3d9af84b9534cc59c |
| Source of Spectrum | CAY-2023-1189-0 |
| Wiley ID | 1889143 |