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(3aR,4R,8R,9aS,Z)-2-methyl-3a,4,6,7,8,8a,9,9a-octahydro-1H-4,8-but[2]enobenzo[f]isoindole-1,3,10(2H)-trione
SpectraBase Compound ID DoX2up7RTBG
InChI InChI=1S/C17H19NO3/c1-18-16(20)13-8-12-9-4-2-5-10(12)14(19)7-3-6-11(9)15(13)17(18)21/h3-4,7,10-13,15H,2,5-6,8H2,1H3/b7-3-/t10-,11+,12+,13+,15-/m1/s1
InChIKey YPZSTVCKUDZUGJ-FZQJQSNWSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlHNMhwUOz7
Name (3aR,4R,8R,9aS,Z)-2-methyl-3a,4,6,7,8,8a,9,9a-octahydro-1H-4,8-but[2]enobenzo[f]isoindole-1,3,10(2H)-trione
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Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-18-16(20)13-8-12-9-4-2-5-10(12)14(19)7-3-6-11(9)15(13)17(18)21/h3-4,7,10-13,15H,2,5-6,8H2,1H3/b7-3-/t10-,11+,12+,13+,15-/m1/s1
InChIKey YPZSTVCKUDZUGJ-FZQJQSNWSA-N
Literature Reference DOI 10.1021/ol702202b
Molecular Weight 285.343 g/mol
SMILES [C@@]12([C@]3(C(=O)N(C([C@]3(C[C@]3(C2=CCC[C@]3(C(\C=C/C1)=O)[H])[H])[H])=O)C)[H])[H]
SPLASH splash10-00lr-9340000000-2d58d330e6980c48aa66
Source of Spectrum A1-9-5163/SMS8-25
Wiley ID 1758771