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(3aR,6S,6aR,9aS,10aR,10bS)-6-(2-hydroxyethyl)-2,8-dimethyl-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)

(3aR,6S,6aR,9aS,10aR,10bS)-6-(2-hydroxyethyl)-2,8-dimethyl-3a,4,6,6a,10,10a-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H,9aH,10bH)-tetraone
SpectraBase Compound ID GhN35jDN97z
InChI InChI=1S/C18H22N2O5/c1-19-15(22)10-4-3-8-9(5-6-21)13-12(16(23)20(2)17(13)24)7-11(8)14(10)18(19)25/h3,9-14,21H,4-7H2,1-2H3/t9-,10-,11+,12+,13-,14-/m1/s1
InChIKey VBFZBNXKPSILGI-UYYXNEDZSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIXWXD1d7RR
Name (3aR,6S,6aR,9aS,10aR,10bS)-6-(2-hydroxyethyl)-2,8-dimethyl-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 C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-19-15(22)10-4-3-8-9(5-6-21)13-12(16(23)20(2)17(13)24)7-11(8)14(10)18(19)25/h3,9-14,21H,4-7H2,1-2H3/t9-,10-,11+,12+,13-,14-/m1/s1
InChIKey VBFZBNXKPSILGI-UYYXNEDZSA-N
Literature Reference DOI 10.1021/ol062869d
Molecular Weight 346.383 g/mol
SMILES OCC[C@@]1(C=2[C@]([C@]3([C@@](CC2)(C(N(C3=O)C)=O)[H])[H])([H])C[C@]2([H])C(N(C([C@]12[H])=O)C)=O)[H]
SPLASH splash10-004i-1309000000-55cf62c87ca15060821f
Source of Spectrum A1-9-615/SMS12-11
Wiley ID 1757845