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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
ChEBI ID CHEBI:79449
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H32O5
Net Charge 0
Average Mass 412.51860
Monoisotopic Mass 412.22497
InChI InChI=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
InChIKey VFSIJASPRGEZJU-PZLPAFFHSA-N
SMILES CC(=O)OCC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O
ChEBI Ontology
Outgoing 3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate (CHEBI:79449) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14924 KEGG COMPOUND
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