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2-[6-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione
SpectraBase Compound ID 6L5dlkXpZ8x
InChI InChI=1S/C27H31N3O3/c1-18-11-12-23-21(16-18)22-17-28(2)15-13-24(22)30(23)25(31)10-4-3-7-14-29-26(32)19-8-5-6-9-20(19)27(29)33/h5-6,8-9,11-12,16,22,24H,3-4,7,10,13-15,17H2,1-2H3/t22-,24-/m0/s1
InChIKey OSFQUYGPCXYOTG-UPVQGACJSA-N
Mol Weight 445.56 g/mol
Molecular Formula C27H31N3O3
Exact Mass 445.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Krkd7SXUOoW
Name 2-[6-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-6-oxidanylidene-hexyl]isoindole-1,3-dione
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Formula C27H31N3O3
InChI InChI=1S/C27H31N3O3/c1-18-11-12-23-21(16-18)22-17-28(2)15-13-24(22)30(23)25(31)10-4-3-7-14-29-26(32)19-8-5-6-9-20(19)27(29)33/h5-6,8-9,11-12,16,22,24H,3-4,7,10,13-15,17H2,1-2H3/t22-,24-/m0/s1
InChIKey OSFQUYGPCXYOTG-UPVQGACJSA-N
Molecular Weight 445.563 g/mol
SMILES c1cc2C(N(C(c2cc1)=O)CCCCCC(N1[C@@]2([C@](CN(CC2)C)([H])c2c1ccc(C)c2)[H])=O)=O
SPLASH splash10-0abc-9500000000-cf55fc53367b6b0c1b65
Synonyms 2-[6-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-6-oxo-hexyl]isoindoline-1,3-dione 2-[6-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-6-oxohexyl]isoindole-1,3-dione 2-[6-[(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl]-6-keto-hexyl]isoindoline-1,3-quinone 2-{6-[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl]-6-oxohexyl}-1H-isoindole-1,3(2H)-dione
Wiley ID 1458319