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8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-6-methylergoline
SpectraBase Compound ID 7CSmMqzoEB1
InChI InChI=1S/C20H22N4O2/c1-23-8-12(9-24-10-18(25)22-19(26)11-24)5-15-14-3-2-4-16-20(14)13(7-21-16)6-17(15)23/h2-5,7,12,17,21H,6,8-11H2,1H3,(H,22,25,26)/t12-,17-/m1/s1
InChIKey RJCXNCSJGRUWRW-SJKOYZFVSA-N
Mol Weight 350.42 g/mol
Molecular Formula C20H22N4O2
Exact Mass 350.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dDZrILhsHv
Name 8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-6-methylergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O2
InChI InChI=1S/C20H22N4O2/c1-23-8-12(9-24-10-18(25)22-19(26)11-24)5-15-14-3-2-4-16-20(14)13(7-21-16)6-17(15)23/h2-5,7,12,17,21H,6,8-11H2,1H3,(H,22,25,26)/t12-,17-/m1/s1
InChIKey RJCXNCSJGRUWRW-SJKOYZFVSA-N
Molecular Weight 350.422 g/mol
SMILES N1C(CN(C[C@@]2(C=C3[C@@](Cc4c5c([nH]c4)cccc35)(N(C2)C)[H])[H])CC1=O)=O
SPLASH splash10-0fk9-1894000000-3bb3de6101e699712636
Source of Spectrum EMC-34-117-1
Synonyms 4-(((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione 4-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione
Wiley ID 1734527