| SpectraBase Compound ID | ABKtejITP1A |
|---|---|
| InChI | InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3/t12-,14+,16+,17-,18-,20+,21-/m0/s1 |
| InChIKey | SSSCMFCWHWCCEH-CZYVWFTJSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C21H24N2O3 |
| Exact Mass | 352.178693 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2J1ToDYQm97 |
|---|---|
| Name | Gelsemine, 1-methoxy- |
| Alternate Name(s) | 1-Methoxygelsemine Alkaloid A, from Gelsemium sempervirens Gelsevirine |
| CAS Registry Number | 38990-03-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O3 |
| InChI | InChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3/t12-,14+,16+,17-,18-,20+,21-/m0/s1 |
| InChIKey | SSSCMFCWHWCCEH-CZYVWFTJSA-N |
| Molecular Weight | 352.434 g/mol |
| SMILES | CN1C[C@]2(C=C)[C@@]3(C[C@@]4([C@@]5(c6ccccc6N(C5=O)OC)[C@]2([C@@]1([C@]3(CO4)[H])[H])[H])[H])[H] |
| SPLASH | splash10-0ab9-4934000000-e703c15d4579615dafdd |
| Source of Spectrum | CD-39-0-0 |
| Wiley ID | 1343411 |