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ERGOBASININE

View entire compound with spectra: 7 NMR, and 6 MS (GC)

ERGOBASININE
SpectraBase Compound ID EOy7smHCpFH
InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
InChIKey WVVSZNPYNCNODU-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C19H23N3O2
Exact Mass 325.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kgC8N4Y1h
Name 9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-.alpha.-carboxamide
CAS Registry Number 60-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3O2
InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
InChIKey WVVSZNPYNCNODU-UHFFFAOYSA-N
Molecular Weight 325.412 g/mol
SMILES N(C(C1C=C2C(Cc3c4c([nH]c3)cccc24)N(C1)C)=O)C(CO)C
SPLASH splash10-00fr-2894000000-85406e1aa4e6c67d15df
Source of Spectrum JZ-1992-1181-0
Synonyms 9,10-Didehydro-N-(.alpha.-(hydroxymethyl)ethyl)-6-methylergoline-8-.beta.-carboxamide 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide 9,10-Didehydro-N-[(S)-2-hydroxy-1-methylethyl]-6-methylergoline-8.beta.-carboxamide Basergin Cornocentin D-Lysergic acid 1-hydroxymethylethylamide D-Lysergic acid-L,2-propanolamide D-Lysergic acid-L-propanolamide Ergoatetrine Ergobasin Ergobasine Ergobasinin Ergobasinine Ergoklinine Ergoline-8-.alpha.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- Ergoline-8-.beta.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl- Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.alpha.(S)]- Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(S)]- Ergometrin Ergometrina Ergometrine Ergometrinin Ergometrinine Ergometrinum Ergonovine Ergonovinine Ergostetrine Ergotocine Ergotrate Ermetrine Isoergometrine Lysergamide, N-((S)-2-hydroxy-1-methylethyl)- Lysergic acid propanolamide Margonovine N-(.alpha.-(Hydroxymethyl)ethyl)-D-lysergomide N-(1-(hydroxymethyl)ethyl)-D-lysergamide N-(1-(Hydroxymethyl)ethyl)-D-lysergomide N-(2-hydroxy-1-methylethyl)-D(+)-Lysergamide Neofemergen Secacornin Secometrin N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide 7-Methyl-N-(1-oxidanylpropan-2-yl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide BRN 0094900 EINECS 200-485-0 HSDB 4075
Wiley ID 1324104