| SpectraBase Compound ID | Cyc1BZ1CZ2f |
|---|---|
| InChI | InChI=1S/C24H28N2O7/c1-13(27)33-12-14-10-20-21-16(15-6-4-5-7-19(15)25-21)8-9-26(20)22(28)17(14)11-18(23(29)31-2)24(30)32-3/h4-7,14,17-18,20,25H,8-12H2,1-3H3/t14-,17-,20+/m1/s1 |
| InChIKey | PNMHDUVLQFYDNX-ZTQAJYAQSA-N |
| Mol Weight | 456.5 g/mol |
| Molecular Formula | C24H28N2O7 |
| Exact Mass | 456.189651 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GXKEXln41EC |
|---|---|
| Name | 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, dimethyl ester, (15.beta.)-(.+-.)- |
| CAS Registry Number | 78419-70-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28N2O7 |
| InChI | InChI=1S/C24H28N2O7/c1-13(27)33-12-14-10-20-21-16(15-6-4-5-7-19(15)25-21)8-9-26(20)22(28)17(14)11-18(23(29)31-2)24(30)32-3/h4-7,14,17-18,20,25H,8-12H2,1-3H3/t14-,17-,20+/m1/s1 |
| InChIKey | PNMHDUVLQFYDNX-ZTQAJYAQSA-N |
| Molecular Weight | 456.495 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@](c12)(C[C@@]([C@](C3=O)(CC(C(=O)OC)C(=O)OC)[H])(COC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0642900000-4c59cc01eb04216ff9c3 |
| Source of Spectrum | K-114-1915-0 |
| Synonyms | 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, dimethyl ester, (3.beta.)-(.+-.)- Dimethyl 2-({(2S,3R,12bS)-2-[(acetyloxy)methyl]-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl}methyl)malonate Dimethyl 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 Dimethyl 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 Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarboxylic acid deriv. |
| Wiley ID | 1389256 |