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CHEBI:79958 - 17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate

ChEBI IDCHEBI:79958
ChEBI Name17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate
Stars
DownloadsMolfile
FormulaC27H32O6
Net Charge0
Average Mass452.547
Monoisotopic Mass452.21989
SMILESCC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)=O)CCC4C34C=CC2(C1)C1C(=O)OC(=O)C14
InChIInChI=1S/C27H32O6/c1-14(28)17-5-6-18-24(17,3)9-8-19-25(4)10-7-16(32-15(2)29)13-26(25)11-12-27(18,19)21-20(26)22(30)33-23(21)31/h8,11-12,16-18,20-21H,5-7,9-10,13H2,1-4H3
InChIKeyPSLJWFDKICJBAP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate (CHEBI:79958) is a steroid lactone (CHEBI:26766)
Manual XrefsDatabases
C15461KEGG COMPOUND
Registry NumbersSources
CAS:25495-42-5KEGG COMPOUND