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(3aS,6aS,9aR,10aS,10bR)-2,8-dimethyl-5-phenyl-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone

View entire compound with spectra: 1 MS (GC)

(3aS,6aS,9aR,10aS,10bR)-2,8-dimethyl-5-phenyl-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone
SpectraBase Compound ID 806JfJMzAWa
InChI InChI=1S/C22H22N2O4/c1-23-19(25)15-9-13-12(11-6-4-3-5-7-11)8-17-18(22(28)24(2)21(17)27)14(13)10-16(15)20(23)26/h3-7,14-18H,8-10H2,1-2H3/t14-,15+,16-,17+,18-/m1/s1
InChIKey QMADXQAZROURJK-MDMSPXHWSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Kz4bVvwWZR
Name (3aS,6aS,9aR,10aS,10bR)-2,8-dimethyl-5-phenyl-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-23-19(25)15-9-13-12(11-6-4-3-5-7-11)8-17-18(22(28)24(2)21(17)27)14(13)10-16(15)20(23)26/h3-7,14-18H,8-10H2,1-2H3/t14-,15+,16-,17+,18-/m1/s1
InChIKey QMADXQAZROURJK-MDMSPXHWSA-N
Literature Reference DOI 10.1021/ol7021998
Molecular Weight 378.428 g/mol
SMILES C1(c2ccccc2)=C2[C@]([C@]3(C(=O)N(C)C(=O)[C@]3(C1)[H])[H])(C[C@@]1([C@@](C(N(C1=O)C)=O)(C2)[H])[H])[H]
SPLASH splash10-02dl-0889000000-36b97fd18cbb3f6bfa66
Source of Spectrum A1-9-4861/SMS16-14b
Wiley ID 1758750