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FLUSTRAMINE_I
SpectraBase Compound ID 4LPE8MYKO8X
InChI InChI=1S/C16H21BrN2O/c1-10(2)6-7-16-8-9-19(3)15(16)18-14-11(17)4-5-12(20)13(14)16/h4-6,15,18,20H,7-9H2,1-3H3/t15-,16-/m0/s1
InChIKey WRWGGTSCHPLAPY-HOTGVXAUSA-N
Mol Weight 337.26 g/mol
Molecular Formula C16H21BrN2O
Exact Mass 336.083726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G19YnKZes0N
Name Flustramine I
Alternate Name(s) (3aS,8bS)-5-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol (3aS,8bS)-5-bromanyl-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
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Formula C16H21BrN2O
InChI InChI=1S/C16H21BrN2O/c1-10(2)6-7-16-8-9-19(3)15(16)18-14-11(17)4-5-12(20)13(14)16/h4-6,15,18,20H,7-9H2,1-3H3/t15-,16-/m0/s1
InChIKey WRWGGTSCHPLAPY-HOTGVXAUSA-N
Molecular Weight 337.261 g/mol
SMILES N1c2c(c(ccc2Br)O)[C@]2([C@@]1(N(C)CC2)[H])CC=C(C)C
SPLASH splash10-017r-1192000000-dceba83640f2b6d74d54
Source of Spectrum G4-72-1780-6
Wiley ID 1702194