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6-Bromo-3a-(2-methyl-3-buten-2-yl)-28-(3-methyl-2-buten-1-yl)-2-oxo-2,3,3a,8a-tetrahydro-8H-pyrrolo[2,3-b]indole Flustramide A

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6-Bromo-3a-(2-methyl-3-buten-2-yl)-28-(3-methyl-2-buten-1-yl)-2-oxo-2,3,3a,8a-tetrahydro-8H-pyrrolo[2,3-b]indole Flustramide A
SpectraBase Compound ID GfdVpbhXWaM
InChI InChI=1S/C21H27BrN2O/c1-6-15(4)12-21-13-19(25)23(5)20(21)24(10-9-14(2)3)18-11-16(22)7-8-17(18)21/h6-9,11,15,20H,1,10,12-13H2,2-5H3
InChIKey VEUJSXBGQIQHEN-UHFFFAOYSA-N
Mol Weight 403.36 g/mol
Molecular Formula C21H27BrN2O
Exact Mass 402.130676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DP8CzDwG4q
Name 6-Bromo-3A-(2-methyl-3-buten-2-yl)-28-(3-methyl-2-buten-1-yl)-2-oxo-2,3,3A,8A-tetrahydro-8H-pyrrolo[2,3-B]indole flustramide A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.130676496 u
Formula C21H27BrN2O
InChI InChI=1S/C21H27BrN2O/c1-6-15(4)12-21-13-19(25)23(5)20(21)24(10-9-14(2)3)18-11-16(22)7-8-17(18)21/h6-9,11,15,20H,1,10,12-13H2,2-5H3
InChIKey VEUJSXBGQIQHEN-UHFFFAOYSA-N
Molecular Weight 403.364 g/mol
SMILES C12N(C3=CC(Br)=CC=C3C2(CC(N1C)=O)CC(C=C)C)CC=C(C)C