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Methyl (3aS*,7S*,11aS*,11bR*)-5-Methyl-1,3,11-trioxo-2-phenyl-2,3,3a,4,6,7,8,9,10,11,11a,11b-dodecahydro-1H-cycloocta[e]isoindole-7-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl (3aS*,7S*,11aS*,11bR*)-5-Methyl-1,3,11-trioxo-2-phenyl-2,3,3a,4,6,7,8,9,10,11,11a,11b-dodecahydro-1H-cycloocta[e]isoindole-7-carboxylate
SpectraBase Compound ID 29tUhw17mZH
InChI InChI=1S/C23H25NO5/c1-13-11-17-20(22(27)24(21(17)26)15-8-4-3-5-9-15)19-16(13)12-14(23(28)29-2)7-6-10-18(19)25/h3-5,8-9,14,17,19-20H,6-7,10-12H2,1-2H3/t14-,17-,19-,20-/m0/s1
InChIKey BZTQMJLRCIIBGO-HSCHXYMDSA-N
Mol Weight 395.46 g/mol
Molecular Formula C23H25NO5
Exact Mass 395.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f3FJILZw4S
Name Methyl (3aS*,7S*,11aS*,11bR*)-5-Methyl-1,3,11-trioxo-2-phenyl-2,3,3a,4,6,7,8,9,10,11,11a,11b-dodecahydro-1H-cycloocta[e]isoindole-7-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO5
InChI InChI=1S/C23H25NO5/c1-13-11-17-20(22(27)24(21(17)26)15-8-4-3-5-9-15)19-16(13)12-14(23(28)29-2)7-6-10-18(19)25/h3-5,8-9,14,17,19-20H,6-7,10-12H2,1-2H3/t14-,17-,19-,20-/m0/s1
InChIKey BZTQMJLRCIIBGO-HSCHXYMDSA-N
Molecular Weight 395.455 g/mol
SMILES C1(N(C([C@]2(CC(=C3[C@]([C@@]12[H])(C(CCC[C@@](C3)(C(=O)OC)[H])=O)[H])C)[H])=O)c1ccccc1)=O
SPLASH splash10-0a4i-0904000000-f5ba30ff4fd30b502f03
Source of Spectrum QE-8-2929-21
Synonyms Methyl (3aS,7S,11aS,11bR)-5-methyl-1,3,11-trioxo-2-phenyl-2,3,3a,4,6,7,8,9,10,11,11a,11b-dodecahydro-1H-cycloocta[e]isoindole-7-carboxylate
Wiley ID 1557792