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CHEBI:35001 - Testosterone isocaproate

ChEBI IDCHEBI:35001
ChEBI NameTestosterone isocaproate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC25H38O3
Net Charge0
Average Mass386.576
Monoisotopic Mass386.28210
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CCC(C)C)CC[C@@]21[H]
InChIInChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKeyPPYHLSBUTAPNGT-BKWLFHPQSA-N
ChEBI Ontology
Outgoing Relation(s)
Testosterone isocaproate (CHEBI:35001) is a steroid ester (CHEBI:47880)
Synonyms  Source
Testosterone isocaproateKEGG COMPOUND
17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerateKEGG COMPOUND
Manual XrefsDatabases
C14663KEGG COMPOUND
Registry NumbersSources
CAS:15262-86-9KEGG COMPOUND