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CHEBI:79481 - 3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one

ChEBI IDCHEBI:79481
ChEBI Name3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one
Stars
DownloadsMolfile
FormulaC21H29ClO3
Net Charge0
Average Mass364.913
Monoisotopic Mass364.18052
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C3CC[C@H](OC(C)=O)C[C@@]3(C)[C@H](Cl)C[C@]12[H]
InChIInChI=1S/C21H29ClO3/c1-12(23)25-13-4-5-16-14-8-9-20(2)17(6-7-19(20)24)15(14)10-18(22)21(16,3)11-13/h13,15,17-18H,4-11H2,1-3H3/t13-,15+,17-,18+,20-,21+/m0/s1
InChIKeyCLXNUVCBDCPVIW-DROYVCBLSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta-(Acetyloxy)-5beta-methyl-6beta-chloroestr-9-en-17-one (CHEBI:79481) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C14957KEGG COMPOUND