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FLUSTRAMINE_H
SpectraBase Compound ID H2axcNbveI9
InChI InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-19-16(22)8-9-17(25)18(19)21/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3/b15-10+/t20-,21-/m0/s1
InChIKey YFSNZRUSLZKXIV-CCHDSSJHSA-N
Mol Weight 405.38 g/mol
Molecular Formula C21H29BrN2O
Exact Mass 404.146327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FhasWXPpyN
Name (3aS,8aS)-7-Bromo-3a-((E)-3,7-dimethyl-octa-2,6-dienyl)-1-methyl-1,2,,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-4-ol
Alternate Name(s) 1-Methyl-3a-(3',7'-dimethylocta-2',6'-dien-1'-yl)-7-bromo-4-hydroxy-2,3,3a,8a-tetrahydropyrrolo[4,5-b]indole Flustramine H (3aS,8bS)-5-bromo-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol (3aS,8bS)-5-bromanyl-8b-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
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Formula C21H29BrN2O
InChI InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-19-16(22)8-9-17(25)18(19)21/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3/b15-10+/t20-,21-/m0/s1
InChIKey YFSNZRUSLZKXIV-CCHDSSJHSA-N
Molecular Weight 405.380 g/mol
SMILES N1c2c(c(ccc2Br)O)[C@]2([C@@]1(N(C)CC2)[H])C\C=C\(CCC=C(C)C)C
SPLASH splash10-014r-1195400000-78a8c0ef532c3b5538e0
Source of Spectrum G4-72-1780-4
Wiley ID 1702196