| SpectraBase Compound ID | 3Rk1BfypJtJ |
|---|---|
| InChI | InChI=1S/C22H25ClN2O5/c1-29-21(27)16(22(28)30-2)10-15-12(11-23)9-18-19-14(7-8-25(18)20(15)26)13-5-3-4-6-17(13)24-19/h3-6,12,15-16,18,24H,7-11H2,1-2H3/t12-,15-,18+/m1/s1 |
| InChIKey | RPRQMVKUXJOGFE-DWQUBVKVSA-N |
| Mol Weight | 432.9 g/mol |
| Molecular Formula | C22H25ClN2O5 |
| Exact Mass | 432.1452 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CXJRiQscssm |
|---|---|
| Name | 17-Norcorynan-18,18-dicarboxylic acid, 16-chloro-21-oxo-, dimethyl ester, (3.beta.)-(.+-.)- |
| CAS Registry Number | 78381-15-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H25ClN2O5 |
| InChI | InChI=1S/C22H25ClN2O5/c1-29-21(27)16(22(28)30-2)10-15-12(11-23)9-18-19-14(7-8-25(18)20(15)26)13-5-3-4-6-17(13)24-19/h3-6,12,15-16,18,24H,7-11H2,1-2H3/t12-,15-,18+/m1/s1 |
| InChIKey | RPRQMVKUXJOGFE-DWQUBVKVSA-N |
| Molecular Weight | 432.904 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@](c12)(C[C@@]([C@](C3=O)(CC(C(=O)OC)C(=O)OC)[H])(CCl)[H])[H] |
| SPLASH | splash10-001i-0762900000-5151b5eb0872df4fdcd9 |
| Source of Spectrum | K-114-1920-0 |
| Synonyms | 17-Norcorynan-18,18-dicarboxylic acid, 16-chloro-21-oxo-, dimethyl ester, (15.beta.)-(.+-.)- Dimethylester of[2.beta.-(Chloromethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.alpha.-ylmethyl]malonic acid Dimethyl 2-{[(2S,3R,12bS)-2-(chloromethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]methyl}malonate Dimethylester of[2.beta.-(chloromethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.beta.-ylmethyl]malonic acid Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv. |
| Wiley ID | 1382196 |