| SpectraBase Compound ID | Gzu39nvROSX |
|---|---|
| InChI | InChI=1S/C28H37ClN2O5/c1-27(2,3)35-25(33)20(26(34)36-28(4,5)6)14-19-16(15-29)13-22-23-18(11-12-31(22)24(19)32)17-9-7-8-10-21(17)30-23/h7-10,16,19-20,22,30H,11-15H2,1-6H3/t16-,19-,22-/m1/s1 |
| InChIKey | QWUOIDGUYGQION-ZWDAVXSWSA-N |
| Mol Weight | 517.1 g/mol |
| Molecular Formula | C28H37ClN2O5 |
| Exact Mass | 516.2391 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DH0yx29vXX4 |
|---|---|
| Name | 17-Norcorynan-18,18-dicarboxylic acid, 16-chloro-21-oxo-, bis(1,1-dimethylethyl) ester, (3.beta.)-(.+-.)- |
| Alternate Name(s) | 17-Norcorynan-18,18-dicarboxylic acid, 16-chloro-21-oxo-, bis(1,1-dimethylethyl) ester, (15.beta.)-(.+-.)- Di-tert-butylester 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 di(tert-butyl) 2-{[(2S,3R,12bR)-2-(chloromethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl]methyl}malonate Di-tert-butylester 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 Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv. |
| CAS Registry Number | 78419-75-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H37ClN2O5 |
| InChI | InChI=1S/C28H37ClN2O5/c1-27(2,3)35-25(33)20(26(34)36-28(4,5)6)14-19-16(15-29)13-22-23-18(11-12-31(22)24(19)32)17-9-7-8-10-21(17)30-23/h7-10,16,19-20,22,30H,11-15H2,1-6H3/t16-,19-,22-/m1/s1 |
| InChIKey | QWUOIDGUYGQION-ZWDAVXSWSA-N |
| Molecular Weight | 517.066 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@@](c12)(C[C@@]([C@](C3=O)(CC(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)[H])(CCl)[H])[H] |
| SPLASH | splash10-0uxr-0333920000-e05a3df1bcf964f27b50 |
| Source of Spectrum | K-114-1921-0 |
| Wiley ID | 1401417 |