| SpectraBase Compound ID | CfqVMsPDyuy |
|---|---|
| InChI | InChI=1S/C22H24N2O5/c1-28-20(26)22(21(27)29-2)10-12-9-17-18-14(13-5-3-4-6-16(13)23-18)7-8-24(17)19(25)15(12)11-22/h3-6,12,15,17,23H,7-11H2,1-2H3/t12-,15+,17-/m0/s1 |
| InChIKey | UMUBGZDBSBWNLN-MJEQTWJJSA-N |
| Mol Weight | 396.44 g/mol |
| Molecular Formula | C22H24N2O5 |
| Exact Mass | 396.168522 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4zNo5DNyyN7 |
|---|---|
| Name | E-Noryohimban-17,17-dicarboxylic acid, 21-oxo-, dimethyl ester, (15.beta.)-(.+-.)- |
| CAS Registry Number | 78477-88-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24N2O5 |
| InChI | InChI=1S/C22H24N2O5/c1-28-20(26)22(21(27)29-2)10-12-9-17-18-14(13-5-3-4-6-16(13)23-18)7-8-24(17)19(25)15(12)11-22/h3-6,12,15,17,23H,7-11H2,1-2H3/t12-,15+,17-/m0/s1 |
| InChIKey | UMUBGZDBSBWNLN-MJEQTWJJSA-N |
| Molecular Weight | 396.443 g/mol |
| SMILES | [nH]1c2ccccc2c2CCN3[C@](c12)(C[C@@]1([C@](C3=O)(CC(C1)(C(=O)OC)C(=O)OC)[H])[H])[H] |
| SPLASH | splash10-0002-0419000000-7ac3acacc182eccdb43d |
| Source of Spectrum | K-114-1922-0 |
| Synonyms | E-Noryohimban-17,17-dicarboxylic acid, 21-oxo-, dimethyl ester, (3.beta.)-(.+-.)- 1H-Cyclopent[g]indolo[2,3-a]quinolizine, E-noryohimban-17,17-dicarboxylic acid deriv. Dimethylester of 2,3,3a.beta.,4,6,7,12,12b.beta.,13,13a.alpha.-Decahydro-4-oxo-1H-cyclopent[g]indolo[2,3-a]quinolizin-2,2-dicarboxylic acid Dimethyl (3aR,12bS,13aR)-4-oxo-3a,4,6,7,12,12b,13,13a-octahydro-1H-cyclopenta[g]indolo[2,3-a]quinolizine-2,2(3H)-dicarboxylate Dimethylester of 2,3,3a.alpha.,4,6,7,12,12b.beta.,13,13a.alpha.-decahydro-4-oxo-1H-cyclopent[g]indolo[2,3-a]quinolizin-2,2-dicarboxylic acid |
| Wiley ID | 1367463 |