| SpectraBase Compound ID | 5tnB798mzFt |
|---|---|
| InChI | InChI=1S/C22H26N2O6/c1-29-21(27)16(22(28)30-2)10-15-12(11-25)9-18-19-14(7-8-24(18)20(15)26)13-5-3-4-6-17(13)23-19/h3-6,12,15-16,18,23,25H,7-11H2,1-2H3/t12?,15?,18-/m1/s1 |
| InChIKey | VUMUHKXVARMMPW-GUUHALQZSA-N |
| Mol Weight | 414.46 g/mol |
| Molecular Formula | C22H26N2O6 |
| Exact Mass | 414.179087 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1YIvnAzLK4 |
|---|---|
| Name | 17-Norcorynan-18,18-dicarboxylic acid, 16-hydroxy-21-oxo-, dimethyl ester, (15.beta.)-(.+-.)- |
| Alternate Name(s) | 17-Norcorynan-18,18-dicarboxylic acid, 16-hydroxy-21-oxo-, dimethyl ester, (3.beta.)-(.+-.)- Dimethylester of[1,2,3,4,6,7,12,12b.beta.-Octahydro-2.beta.-(hydroxymethyl)-4-oxoindolo[2,3-a]quinolizin-3.beta.-ylmethyl]malonic acid Dimethyl 2-{[(12bR)-2-(hydroxymethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]methyl}malonate Dimethylester of[1,2,3,4,6,7,12,12b.beta.-octahydro-2.beta.-(hydroxymethyl)-4-indolo[2,3-a]quinolizin-3.alpha.-ylmethyl]malonic acid Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv. |
| CAS Registry Number | 78381-11-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26N2O6 |
| InChI | InChI=1S/C22H26N2O6/c1-29-21(27)16(22(28)30-2)10-15-12(11-25)9-18-19-14(7-8-24(18)20(15)26)13-5-3-4-6-17(13)23-19/h3-6,12,15-16,18,23,25H,7-11H2,1-2H3/t12?,15?,18-/m1/s1 |
| InChIKey | VUMUHKXVARMMPW-GUUHALQZSA-N |
| Molecular Weight | 414.458 g/mol |
| SMILES | OCC1C(C(N2[C@@](c3c(CC2)c2ccccc2[nH]3)(C1)[H])=O)CC(C(=O)OC)C(=O)OC |
| SPLASH | splash10-03yi-0733900000-ced2c21e9ef54006c6e9 |
| Source of Spectrum | K-114-1919-0 |
| Wiley ID | 1375363 |