5-METHYL-2-OXO-9C-PHENYL-3-PROPYL-2,3,4,4A,5,9C-HEXAHYDRO-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER
Compound with spectra: 1 NMR
![5-METHYL-2-OXO-9C-PHENYL-3-PROPYL-2,3,4,4A,5,9C-HEXAHYDRO-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER](/api/compound/FNEHNujF13j.png?ph=true&h=300&w=458 "5-METHYL-2-OXO-9C-PHENYL-3-PROPYL-2,3,4,4A,5,9C-HEXAHYDRO-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER")
| SpectraBase Compound ID | FNEHNujF13j |
|---|---|
| InChI | InChI=1S/C28H29NO5/c1-5-15-29-16-21-17(2)19-13-9-10-14-20(19)23-22(25(31)33-3)24(30)28(29,26(32)34-4)27(21,23)18-11-7-6-8-12-18/h6-14,17,21H,5,15-16H2,1-4H3/t17?,21-,27-,28-/m1/s1 |
| InChIKey | NQKYDDQGLNBHKX-KRHAAWDBSA-N |
| Mol Weight | 459.54 g/mol |
| Molecular Formula | C28H29NO5 |
| Exact Mass | 459.204573 g/mol |
| Enantiomer InChIKey | NQKYDDQGLNBHKX-NGLRETFASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
6H,10H,16H,18H,32H,34H-5,9:17,21-Dimethano-11,15-metheno-1,25[1',3']-pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexa cosine-32,37,39-trione, 7,8,19,20,28,29,35,36-octahydro-38-methoxy-13-methyl-
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazcyclohexacosine-32,37,39-trione
1,6-Dioxaspiro[4.5]decane-7-hexanoic acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-(hydroxym ethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.delta.-methoxy-.epsilon.,2,8-trimethyl-, methyl ester, diacetate
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexacosine-32,37,39-trione
| Title | Journal or Book | Year |
|---|---|---|
| Cyclization of Electron-Deficient Cyclopentadienone with 2-Alkenyl and 2-Alkynylamines via Sequential Pericyclic Reaction Pathway | The Journal of Organic Chemistry | 2001 |