![2H-Benzo[a]quinolizine, propanedioicacid deriv.](/api/spectrum/GNlPPWTWKn9/structure.png?h=300&w=458 "2H-Benzo[a]quinolizine, propanedioicacid deriv.")
| SpectraBase Compound ID | HWChRs7tHsz |
|---|---|
| InChI | InChI=1S/C22H31NO6/c1-6-13-12-23-8-7-14-9-18(26-2)19(27-3)11-15(14)17(23)10-16(13)20(21(24)28-4)22(25)29-5/h9,11,13,16-17,20H,6-8,10,12H2,1-5H3/t13-,16-,17-/m0/s1 |
| InChIKey | MFUJSWCTNWGEIF-JQFCIGGWSA-N |
| Mol Weight | 405.49 g/mol |
| Molecular Formula | C22H31NO6 |
| Exact Mass | 405.215138 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GNlPPWTWKn9 |
|---|---|
| Name | 2H-Benzo[a]quinolizine, propanedioicacid deriv. |
| Alternate Name(s) | Propanedioic acid, (3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin -2-yl)-, dimethyl ester, (2.alpha.,3.beta.,11b.beta.)-(.+-.)- Dimethyl 2-[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]malonate Dimethyl 3.alpha.-ethyl-9,10-dimethoxy-1,3,4,6,7,11b.alpha.-hexahydro-2H-benzo(a)quinolizin-2.beta.-ylmalonate |
| CAS Registry Number | 61217-01-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31NO6 |
| InChI | InChI=1S/C22H31NO6/c1-6-13-12-23-8-7-14-9-18(26-2)19(27-3)11-15(14)17(23)10-16(13)20(21(24)28-4)22(25)29-5/h9,11,13,16-17,20H,6-8,10,12H2,1-5H3/t13-,16-,17-/m0/s1 |
| InChIKey | MFUJSWCTNWGEIF-JQFCIGGWSA-N |
| Molecular Weight | 405.491 g/mol |
| SMILES | [C@@]12(N(CCc3cc(c(cc23)OC)OC)C[C@@]([C@](C1)(C(C(=O)OC)C(=O)OC)[H])(CC)[H])[H] |
| SPLASH | splash10-0kfw-0296800000-4f9182b6e4244ce9fb69 |
| Source of Spectrum | F-32-1157-0 |
| Wiley ID | 1371751 |