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(3S, 5R, 8R)-5(10->9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-bromo-9, I10-didehydroergoline
SpectraBase Compound ID 59dCXacvhae
InChI InChI=1S/C16H19BrN2/c1-9-8-19(2)15-5-10-7-18-14-4-3-13(17)12(16(10)14)6-11(9)15/h3-4,6,9-10,15,18H,5,7-8H2,1-2H3/t9-,10+,15+/m0/s1
InChIKey KHCZFAZMLOYGKV-FEUHOPSXSA-N
Mol Weight 319.25 g/mol
Molecular Formula C16H19BrN2
Exact Mass 318.073162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID If9LkmxyL8P
Name (3S, 5R, 8R)-5(10->9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-bromo-9, I10-didehydroergoline
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Formula C16H19BrN2
InChI InChI=1S/C16H19BrN2/c1-9-8-19(2)15-5-10-7-18-14-4-3-13(17)12(16(10)14)6-11(9)15/h3-4,6,9-10,15,18H,5,7-8H2,1-2H3/t9-,10+,15+/m0/s1
InChIKey KHCZFAZMLOYGKV-FEUHOPSXSA-N
Molecular Weight 319.246 g/mol
SMILES N1c2c3c(C=C4[C@@](C[C@@]3(C1)[H])(N(C[C@@]4(C)[H])C)[H])c(cc2)Br
SPLASH splash10-0pvi-0209000000-90c567b339acbbbfe84a
Source of Spectrum EMC-33-292-27
Synonyms (3S,5R,8R)-5(10-9)abeo-2,3.beta.-Dihydro-6-methyl-8.beta.-methyl-12-bromo-9,10-didehydroergoline (7R,9aR,10aS)-5-bromo-7,9-dimethyl-1,2,7,8,9,9a,10,10a-octahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole
Wiley ID 1734489