CHEBI:60527 - O-(cyclohexanecarbonyl)lysergol

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ChEBI Name O-(cyclohexanecarbonyl)lysergol
ChEBI ID CHEBI:60527
ChEBI ASCII Name O-(cyclohexanecarbonyl)lysergol
Definition Lysergol esterified with cyclohexanecarboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000013793941
Download Molfile XML SDF
Formula C23H28N2O2
Net Charge 0
Average Mass 364.48060
Monoisotopic Mass 364.21508
InChI InChI=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
InChIKey NHINDOWVGVTFBF-QVKFZJNVSA-N
SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](COC(=O)C1CCCCC1)CN2C)c34
ChEBI Ontology
Outgoing O-(cyclohexanecarbonyl)lysergol (CHEBI:60527) has parent hydride ergoline (CHEBI:38484)
O-(cyclohexanecarbonyl)lysergol (CHEBI:60527) is a cyclohexanecarboxylate ester (CHEBI:50754)
Incoming 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-lysergol ChEBI
Registry Number Type Source
6001868 Beilstein Registry Number Beilstein
Last Modified
27 October 2010