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Methyl (3aS*,7S*,12aS*,12bR*)-5-Methyl-1,3,11-trioxo-2-phenyl-1,2,3,3a,4,6,7,8,9,10,11,12,12a,12b-tetradecahydrocyclonona[e]isoindole-7-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl (3aS*,7S*,12aS*,12bR*)-5-Methyl-1,3,11-trioxo-2-phenyl-1,2,3,3a,4,6,7,8,9,10,11,12,12a,12b-tetradecahydrocyclonona[e]isoindole-7-carboxylate
SpectraBase Compound ID 67e0qxsR3PS
InChI InChI=1S/C24H27NO5/c1-14-11-20-21(23(28)25(22(20)27)16-8-4-3-5-9-16)19-13-17(26)10-6-7-15(12-18(14)19)24(29)30-2/h3-5,8-9,15,19-21H,6-7,10-13H2,1-2H3/t15-,19+,20-,21+/m0/s1
InChIKey CJDRGVRPABQCAC-PSMQTCRGSA-N
Mol Weight 409.48 g/mol
Molecular Formula C24H27NO5
Exact Mass 409.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChmE5lBnJvI
Name Methyl (3aS*,7S*,12aS*,12bR*)-5-Methyl-1,3,11-trioxo-2-phenyl-1,2,3,3a,4,6,7,8,9,10,11,12,12a,12b-tetradecahydrocyclonona[e]isoindole-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO5
InChI InChI=1S/C24H27NO5/c1-14-11-20-21(23(28)25(22(20)27)16-8-4-3-5-9-16)19-13-17(26)10-6-7-15(12-18(14)19)24(29)30-2/h3-5,8-9,15,19-21H,6-7,10-13H2,1-2H3/t15-,19+,20-,21+/m0/s1
InChIKey CJDRGVRPABQCAC-PSMQTCRGSA-N
Molecular Weight 409.482 g/mol
SMILES C1(N(C([C@]2(CC(=C3[C@]([C@@]12[H])(CC(CCC[C@@](C3)(C(=O)OC)[H])=O)[H])C)[H])=O)c1ccccc1)=O
SPLASH splash10-0aor-0901300000-443289dd3ed0be751efe
Source of Spectrum QE-8-2929-25
Synonyms Methyl (3aS,7S,12aS,12bR)-5-methyl-1,3,11-trioxo-2-phenyl-1,2,3,3a,4,6,7,8,9,10,11,12,12a,12b-tetradecahydrocyclonona[e]isoindole-7-carboxylate
Wiley ID 1557790