| SpectraBase Compound ID | GNt3tDqWpoV |
|---|---|
| InChI | InChI=1S/C27H34N2O7/c1-15(30)35-14-16-12-22-23-18(17-8-6-7-9-21(17)28-23)10-11-29(22)24(31)19(16)13-20(25(32)34-5)26(33)36-27(2,3)4/h6-9,16,19-20,22,28H,10-14H2,1-5H3/t16-,19-,20?,22-/m1/s1 |
| InChIKey | VBNZBMOMGCAHES-CJNMTDQCSA-N |
| Mol Weight | 498.6 g/mol |
| Molecular Formula | C27H34N2O7 |
| Exact Mass | 498.236601 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1XSEypkQ3FU |
|---|---|
| Name | 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, 1,1-dimethylethyl methyl ester, (3.beta.)-(.+-.)- |
| Alternate Name(s) | 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, 1,1-dimethylethyl methyl ester, (15.beta.)-(.+-.)- 1-tert-Butyl 3-methyl 2-({(2S,3R,12bR)-2-[(acetyloxy)methyl]-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl}methyl)malonate Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv. tert-Butylester-methyl ester of[2.beta.-(Acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.beta.-ylmethyl]malonic acid tert-Butylester-methyl ester of[2.beta.-(acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.alpha.-ylmethyl]malonic acid |
| CAS Registry Number | 78381-02-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34N2O7 |
| InChI | InChI=1S/C27H34N2O7/c1-15(30)35-14-16-12-22-23-18(17-8-6-7-9-21(17)28-23)10-11-29(22)24(31)19(16)13-20(25(32)34-5)26(33)36-27(2,3)4/h6-9,16,19-20,22,28H,10-14H2,1-5H3/t16-,19-,20?,22-/m1/s1 |
| InChIKey | VBNZBMOMGCAHES-CJNMTDQCSA-N |
| Molecular Weight | 498.576 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@@](c12)(C[C@@]([C@](C3=O)(CC(C(OC(C)(C)C)=O)C(=O)OC)[H])(COC(=O)C)[H])[H] |
| SPLASH | splash10-000y-0652900000-b12433d52858127c4f4c |
| Source of Spectrum | K-114-1915-0 |
| Wiley ID | 1398553 |