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METHYL-4-ALPHA-ETHYL-13,16-DIOXO-6A-BETA,11A-BETA-(EPOXYETHANO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6BETA-CARBOXYL

Compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-4-ALPHA-ETHYL-13,16-DIOXO-6A-BETA,11A-BETA-(EPOXYETHANO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6BETA-CARBOXYL
SpectraBase Compound ID rZvuisgQ9t
InChI InChI=1S/C22H24N2O5/c1-3-12-10-23-16-8-13(12)19(20(27)28-2)22-14-6-4-5-7-15(14)24(11-17(23)25)21(16,22)9-18(26)29-22/h4-7,12-13,16,19H,3,8-11H2,1-2H3/t12-,13+,16+,19-,21+,22+/m1/s1
InChIKey RCOSERWRSSCASD-HHBJBZOFSA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol
Enantiomer InChIKey RCOSERWRSSCASD-ZNHAIDIJSA-N

View Spectrum of METHYL-4-ALPHA-ETHYL-13,16-DIOXO-6A-BETA,11A-BETA-(EPOXYETHANO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6BETA-CARBOXYL

MS (GC) Spectrum
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Source of Spectrum J-61-1250-49

View Spectrum of METHYL-4-ALPHA-ETHYL-13,16-DIOXO-6A-BETA,11A-BETA-(EPOXYETHANO)-2,11-ETHANO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANOAZOCINO-[3,4-B]-INDOLE-6BETA-CARBOXYL

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • Methyl 4.alpha.-ethyl-13,16-dioxo-6.beta.,11a.beta.-(epoxyethano)-2,11-ethano-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[3,4-b]indole-6-.beta.-carboxylate
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
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
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.)]-
Dispiro[piperidine-4,2'-[7,14,24,31]tetraoxapentacyclo[30.2.2.23,6.215,18.220,23]dotetraconta[3,5,15,17,20,22,32,34,35,37,39,41]dodecaen e-19',4''-piperidine], 1,1''-diacetyl-5',33'-dibromo-16',22',36',37',40',41'-hexamethyl-
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
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
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-
Diethyl 4,4''-{[(1R,2R)-cyclohexane-1,2-diyl]dinitrilo-3,3,3',3'-tetramethyl-4,4'-[(2",3",7",8"-tetrahydro-2",2",3",3",7",7",8',8'-octamethyl-11"H-dipyrrin-1",9"-diylidene)-dinitrilo]-bis[butanoato](1-)cobalt(III)
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
Spiro[12,15:17,20-dietheno-6H,16H,22H-dibenzo[b,d][1,6,12,22]tetraox acycloheptacosin-16,4'-piperidine]-1,31-dimethanamine, 7,8,9,10,23,24,25,26-octahydro-N,N,N',N',1',13,19,32,35-nonamethyl-, (S)-
Title Journal or Book Year
Synthetic Efforts toward Akuammiline Alkaloids from Tetracyclic 6,7-Seco Derivatives The Journal of Organic Chemistry 1996
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