![METHYL-2-ALPHA-ETHYL-2,3,5,6,13A-BETA,13B-BETA-HEXAHYDRO-1H-INDOLO-[3,2,1-DE]-PYRIDO-[3,2,1-IJ]-[1,5]-NAPHTHYRIDINE-12-CARBOXYLATE;(+/-)-APOTALAMINE](/api/spectrum/8B7kPFQbbfb/structure.png?h=300&w=458 "METHYL-2-ALPHA-ETHYL-2,3,5,6,13A-BETA,13B-BETA-HEXAHYDRO-1H-INDOLO-[3,2,1-DE]-PYRIDO-[3,2,1-IJ]-[1,5]-NAPHTHYRIDINE-12-CARBOXYLATE;(+/-)-APOTALAMINE")
| SpectraBase Compound ID | ImSbKYoGmON |
|---|---|
| InChI | InChI=1S/C21H24N2O2/c1-3-13-10-14-11-18(21(24)25-2)23-17-7-5-4-6-15(17)16-8-9-22(12-13)19(14)20(16)23/h4-7,11,13-14,19H,3,8-10,12H2,1-2H3/t13-,14-,19-/m1/s1 |
| InChIKey | HUJHMNHVYIYOMD-PJIJBLCYSA-N |
| Mol Weight | 336.44 g/mol |
| Molecular Formula | C21H24N2O2 |
| Exact Mass | 336.183778 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8B7kPFQbbfb |
|---|---|
| Name | 20,21-Dinoreburnamenine-14-carboxylic acid, 18-ethyl-, methyl ester, (18.alpha.)- |
| Alternate Name(s) | Methyl 2.alpha.-ethyl-2,3,5,6,13a.beta.,13b.beta.-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthydrine-12-carboxylate 16,17-Anhydro-tacamine 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, 20,21-dinoreburnamenine-14-carboxylic acid deriv. Anhydrotacamine Methyl (2R,13aR,13bR)-2-ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate |
| CAS Registry Number | 56942-59-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O2 |
| InChI | InChI=1S/C21H24N2O2/c1-3-13-10-14-11-18(21(24)25-2)23-17-7-5-4-6-15(17)16-8-9-22(12-13)19(14)20(16)23/h4-7,11,13-14,19H,3,8-10,12H2,1-2H3/t13-,14-,19-/m1/s1 |
| InChIKey | HUJHMNHVYIYOMD-PJIJBLCYSA-N |
| Molecular Weight | 336.435 g/mol |
| SMILES | c12[n]3C(=C[C@@]4([C@]1(N(CCc2c1c3cccc1)C[C@@](C4)(CC)[H])[H])[H])C(=O)OC |
| SPLASH | splash10-000l-0193000000-f8750dc0b21e23ce5cc3 |
| Source of Spectrum | F-40-746-0 |
| Wiley ID | 1332665 |