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8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-1-ethyl-9,10-didehydro-6-methylergoline
SpectraBase Compound ID o8FMyJIr6W
InChI InChI=1S/C22H26N4O2/c1-3-26-11-15-8-19-17(16-5-4-6-18(26)22(15)16)7-14(9-24(19)2)10-25-12-20(27)23-21(28)13-25/h4-7,11,14,19H,3,8-10,12-13H2,1-2H3,(H,23,27,28)/t14-,19-/m1/s1
InChIKey QIDRMWCDWSIHLP-AUUYWEPGSA-N
Mol Weight 378.48 g/mol
Molecular Formula C22H26N4O2
Exact Mass 378.205576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25a0AogPm9p
Name 8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-1-ethyl-9,10-didehydro-6-methylergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N4O2
InChI InChI=1S/C22H26N4O2/c1-3-26-11-15-8-19-17(16-5-4-6-18(26)22(15)16)7-14(9-24(19)2)10-25-12-20(27)23-21(28)13-25/h4-7,11,14,19H,3,8-10,12-13H2,1-2H3,(H,23,27,28)/t14-,19-/m1/s1
InChIKey QIDRMWCDWSIHLP-AUUYWEPGSA-N
Molecular Weight 378.476 g/mol
SMILES N1C(CN(CC1=O)C[C@@]1(C=C2c3c4c([n](CC)cc4C[C@]2(N(C)C1)[H])ccc3)[H])=O
SPLASH splash10-00dl-3292000000-e52132f74d042e4dc1f9
Source of Spectrum EMC-34-117-3
Synonyms 4-(((6aR,9S)-4-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione 4-[[(6aR,9S)-4-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione
Wiley ID 1734525