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8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-6-methylergoline

View entire compound with spectra: 1 MS (GC)

8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-6-methylergoline
SpectraBase Compound ID AqYDgdQLCVL
InChI InChI=1S/C20H24N4O2/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/h2-4,7,12,15,17,21H,5-6,8-11H2,1H3,(H,22,25,26)/t12-,15-,17-/m1/s1
InChIKey GKGXKTYGQHBSPX-SRCQZFHVSA-N
Mol Weight 352.44 g/mol
Molecular Formula C20H24N4O2
Exact Mass 352.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UtEkzNe3iT
Name 8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-6-methylergoline
Alternate Name(s) 4-(((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione 4-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N4O2
InChI InChI=1S/C20H24N4O2/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/h2-4,7,12,15,17,21H,5-6,8-11H2,1H3,(H,22,25,26)/t12-,15-,17-/m1/s1
InChIKey GKGXKTYGQHBSPX-SRCQZFHVSA-N
Molecular Weight 352.438 g/mol
SMILES [nH]1c2c3c([C@@]4([C@](N(C[C@](CN5CC(NC(C5)=O)=O)(C4)[H])C)(Cc3c1)[H])[H])ccc2
SPLASH splash10-0f6x-3943000000-185b8115ca579bfa99e5
Source of Spectrum EMC-34-121-20
Wiley ID 1734508