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(rel-3aR,4R,7aS)-4-((Z)-4-hydroxyhexa-2,5-dienyl)-2-methyl-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 4DftBpTrUsf
InChI InChI=1S/C17H21NO3/c1-4-11-9-10-14-15(17(21)18(3)16(14)20)13(11)8-6-7-12(19)5-2/h4-7,9,12-15,19H,1-2,8,10H2,3H3/b7-6-/t12?,13-,14-,15+/m0/s1
InChIKey UFGAGFYNPDIQSD-NNCNEITCSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkkaxCjZzji
Name (rel-3aR,4R,7aS)-4-((Z)-4-hydroxyhexa-2,5-dienyl)-2-methyl-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
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Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-4-11-9-10-14-15(17(21)18(3)16(14)20)13(11)8-6-7-12(19)5-2/h4-7,9,12-15,19H,1-2,8,10H2,3H3/b7-6-/t12?,13-,14-,15+/m0/s1
InChIKey UFGAGFYNPDIQSD-NNCNEITCSA-N
Literature Reference DOI 10.1021/ol702202b
Molecular Weight 287.359 g/mol
SMILES OC(\C=C/C[C@]1(C(=CC[C@@]2(C(=O)N(C(=O)[C@]12[H])C)[H])C=C)[H])C=C
SPLASH splash10-0a59-6920000000-08d8a7cbf7cd2069b639
Source of Spectrum A1-9-5163/SMS7-23b
Synonyms (3aR,4R,7aS)-4-((Z)-4-hydroxyhexa-2,5-dien-1-yl)-2-methyl-5-vinyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Wiley ID 1758770