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CHEBI:60527 - O-(cyclohexanecarbonyl)lysergol

ChEBI IDCHEBI:60527
ChEBI NameO-(cyclohexanecarbonyl)lysergol
Stars
ASCII NameO-(cyclohexanecarbonyl)lysergol
DefinitionLysergol esterified with cyclohexanecarboxylic acid.
Last Modified27 October 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H28N2O2
Net Charge0
Average Mass364.489
Monoisotopic Mass364.21508
SMILES[H][C@@]12Cc3cnc4cccc(c34)C1=C[C@@H](COC(=O)C1CCCCC1)CN2C
InChIInChI=1S/C23H28N2O2/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/h5,8-10,12,15-16,21,24H,2-4,6-7,11,13-14H2,1H3/t15-,21-/m1/s1
InChIKeyNHINDOWVGVTFBF-QVKFZJNVSA-N
ChEBI Ontology
Outgoing Relation(s)
O-(cyclohexanecarbonyl)lysergol (CHEBI:60527) has parent hydride ergoline (CHEBI:38484)
O-(cyclohexanecarbonyl)lysergol (CHEBI:60527) is a cyclohexanecarboxylate ester (CHEBI:50754)
Incoming Relation(s)
O-(cyclohexanecarbonyl)lysergol maleate (CHEBI:365445) has part O-(cyclohexanecarbonyl)lysergol (CHEBI:60527)
IUPAC Name 
(6-methyl-9,10-didehydroergolin-8β-yl)methyl cyclohexanecarboxylate
Synonym  Source
O-cyclohexanoyl-lysergolChEBI
Registry NumbersSources
Beilstein:6001868Beilstein