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CHEBI:365445 - O-(cyclohexanecarbonyl)lysergol maleate

ChEBI IDCHEBI:365445
ChEBI NameO-(cyclohexanecarbonyl)lysergol maleate
Stars
ASCII NameO-(cyclohexanecarbonyl)lysergol maleate
DefinitionThe hydrogenmaleate salt of O-(cyclohexanecarbonyl)lysergol.
Last Modified27 October 2010
DownloadsMolfile
Formula2H.C23H28N2O2.C4H2O4
Net Charge0
Average Mass480.561
Monoisotopic Mass480.22604
SMILESO=C([O-])/C=C\C(=O)[O-].[H+].[H+].[H][C@@]12Cc3cnc4cccc(c34)C1=C[C@@H](COC(=O)C1CCCCC1)CN2C
InChIInChI=1S/C23H28N2O2.C4H4O4/c1-25-13-15(14-27-23(26)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(12-24-20)11-21(19)25;5-3(6)1-2-4(7)8/h5,8-10,12,15-16,21,24H,2-4,6-7,11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,21-;/m1./s1
InChIKeyPITGWFXAOQMFES-PGZVNSLNSA-N
ChEBI Ontology
Outgoing Relation(s)
O-(cyclohexanecarbonyl)lysergol maleate (CHEBI:365445) has part O-(cyclohexanecarbonyl)lysergol (CHEBI:60527)
O-(cyclohexanecarbonyl)lysergol maleate (CHEBI:365445) is a maleate salt (CHEBI:50221)
IUPAC Name 
hydrogen (2Z)-but-2-enedioate (6-methyl-9,10-didehydroergolin-8β-yl)methyl cyclohexanecarboxylate (1:1:1)
Synonym  Source
Cyclohexanecarboxylic acid (6aR,9R)-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinolin-9-ylmethyl ester; compound with (Z)-but-2-enedioic acidChEMBL
Registry NumbersSources
Beilstein:8302967Beilstein
Citations