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[8.beta.-(3,5-dioxo-4-cyclohexylpiperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline

View entire compound with spectra: 1 MS (GC)

[8.beta.-(3,5-dioxo-4-cyclohexylpiperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline
SpectraBase Compound ID 331nZ73H94a
InChI InChI=1S/C26H32N4O2/c1-28-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)28)14-29-15-24(31)30(25(32)16-29)19-6-3-2-4-7-19/h5,8-10,12,17,19,23,27H,2-4,6-7,11,13-16H2,1H3/t17-,23?/m1/s1
InChIKey DRPAYLSPLIGTSC-LIXIDFRTSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H32N4O2
Exact Mass 432.252526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp4PIbuGWco
Name [8.beta.-(3,5-dioxo-4-cyclohexylpiperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline
Alternate Name(s) [8.bete.-(3,5-dioxo-4-cyclohexylpiperazin-1-yl)-methyl]-9,10-didehydro-6-methylergoline 1-Cyclohexyl-4-(((9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N4O2
InChI InChI=1S/C26H32N4O2/c1-28-13-17(10-21-20-8-5-9-22-26(20)18(12-27-22)11-23(21)28)14-29-15-24(31)30(25(32)16-29)19-6-3-2-4-7-19/h5,8-10,12,17,19,23,27H,2-4,6-7,11,13-16H2,1H3/t17-,23?/m1/s1
InChIKey DRPAYLSPLIGTSC-LIXIDFRTSA-N
Molecular Weight 432.568 g/mol
SMILES [nH]1cc2CC3C(c4c2c1ccc4)=C[C@](CN3C)(CN1CC(=O)N(C(C1)=O)C1CCCCC1)[H]
SPLASH splash10-00ec-4490400000-e864b49eaeb545db58ce
Source of Spectrum EMC-34-120-18
Wiley ID 1734510