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FLUSTRAMINE_K

View entire compound with spectra: 1 NMR, and 1 MS (GC)

FLUSTRAMINE_K
SpectraBase Compound ID BjsNTSN2Jof
InChI InChI=1S/C16H20Br2N2O/c1-9(2)4-5-16-6-7-20(3)15(16)19-13-10(17)8-11(18)14(21)12(13)16/h4,8,15,19,21H,5-7H2,1-3H3/t15-,16-/m0/s1
InChIKey YZJXVTXZQKEAOV-HOTGVXAUSA-N
Mol Weight 416.16 g/mol
Molecular Formula C16H20Br2N2O
Exact Mass 413.994239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ED7hWeponaM
Name (3aS,8aS)-5,7-Dibromo-1-methyl-3a-(3-methyl-but-2-enyl)-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-4-ol
Alternate Name(s) 1-Methyl-3a-(3'-methylbut-2'-en-1'-yl)-5,7-dibromo-4-hydroxy-2,3,3a,8a-tetrahydropyrrolo[4,5-b]indole Flustramine K (3aS,8bS)-5,7-dibromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol (3aS,8bS)-5,7-bis(bromanyl)-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
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Formula C16H20Br2N2O
InChI InChI=1S/C16H20Br2N2O/c1-9(2)4-5-16-6-7-20(3)15(16)19-13-10(17)8-11(18)14(21)12(13)16/h4,8,15,19,21H,5-7H2,1-3H3/t15-,16-/m0/s1
InChIKey YZJXVTXZQKEAOV-HOTGVXAUSA-N
Molecular Weight 416.157 g/mol
SMILES Oc1c(cc(c2c1[C@]1([C@](N(CC1)C)(N2)[H])CC=C(C)C)Br)Br
SPLASH splash10-05mk-1009200000-843d19cc7f154f85e80e
Source of Spectrum G4-72-1780-8
Wiley ID 1702192