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CHEBI:79785 - 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate

ChEBI IDCHEBI:79785
ChEBI Name17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
Stars
Last Modified26 April 2017
DownloadsMolfile
FormulaC26H40O3
Net Charge0
Average Mass400.603
Monoisotopic Mass400.29775
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(=O)C5CCCCC5)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
InChIKeyYOVFVQWNQMEMNF-LVYWIKMTSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate (CHEBI:79785) is a 3-oxo-5α-steroid (CHEBI:13601)
17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate (CHEBI:79785) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15283KEGG COMPOUND