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Pyrrolo[2,3-b]indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-5-(3-methyl-2-butenyl)-, cis-(-)-
SpectraBase Compound ID 60uHNNoMCAA
InChI InChI=1S/C21H29BrN2/c1-7-20(4,5)21-10-11-24(6)19(21)23-18-13-17(22)15(12-16(18)21)9-8-14(2)3/h7-8,12-13,19,23H,1,9-11H2,2-6H3/t19-,21+/m1/s1
InChIKey FGDLDCKUPXVIGT-CTNGQTDRSA-N
Mol Weight 389.38 g/mol
Molecular Formula C21H29BrN2
Exact Mass 388.151412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6k22GTl47FT
Name Pyrrolo[2,3-b]indole, 6-bromo-3a-(1,1-dimethyl-2-propenyl)-1,2,3,3a,8,8a-hexahydro-1-methyl-5-(3-methyl-2-butenyl)-, cis-(-)-
CAS Registry Number 104387-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29BrN2
InChI InChI=1S/C21H29BrN2/c1-7-20(4,5)21-10-11-24(6)19(21)23-18-13-17(22)15(12-16(18)21)9-8-14(2)3/h7-8,12-13,19,23H,1,9-11H2,2-6H3/t19-,21+/m1/s1
InChIKey FGDLDCKUPXVIGT-CTNGQTDRSA-N
Molecular Weight 389.381 g/mol
SMILES N1c2cc(c(cc2[C@@]2([C@]1(N(CC2)C)[H])C(C=C)(C)C)CC=C(C)C)Br
SPLASH splash10-01i0-0019000000-ed4eec32c3681873ea74
Source of Spectrum I-64-1316-3
Synonyms (3aS,8aR)-6-bromo-3a-(1,1-dimethyl-2-propenyl)-1-methyl-5-(3-methyl-2-butenyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole Flustramine D
Wiley ID 1363823