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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sFbrm7Dzvn
Name 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
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Formula C22H24N2O5
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
Molecular Weight 396.443 g/mol
SMILES [C@]123[C@]4([C@@](C(=O)OC)([C@]5(C[C@@]1(N(C(=O)CN3c1ccccc41)C[C@]5(CC)[H])[H])[H])[H])OC(C2)=O
SPLASH splash10-0002-0009000000-1b652d2aa6d786f4e76f
Source of Spectrum J-61-1250-49
Synonyms Methyl (1R,5S)-18-ethyl-3,15-dioxo-4-oxa-13,16-diazahexacyclo[11.8.0.0(1,6).0(5,19).0(7,12).0(16,21)]henicosa-7,9,11-triene-5-carboxylate
Wiley ID 1367465