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CHEBI:79449 - 3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate

ChEBI IDCHEBI:79449
ChEBI Name3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
Stars
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILES[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC=C1C2=CC=C2C[C@@H](OC(C)=O)CC[C@@]21C
InChIInChI=1S/C25H32O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,10,18,20,22H,7-9,11-14H2,1-4H3/t18-,20-,22+,24-,25-/m0/s1
InChIKeyVFSIJASPRGEZJU-PZLPAFFHSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate (CHEBI:79449) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C14924KEGG COMPOUND