CHEBI:32043 - Prednisolone farnesylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Prednisolone farnesylate
ChEBI ID CHEBI:32043
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C36H50O6
C36H50O6
Net Charge 0
Average Mass 578.780
Monoisotopic Mass 578.36074
InChI InChI=1S/C36H50O6/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-32(40)42-22-31(39)36(41)18-16-29-28-14-13-26-20-27(37)15-17-34(26,5)33(28)30(38)21-35(29,36)6/h9,11,15,17,19-20,28-30,33,38,41H,7-8,10,12-14,16,18,21-22H2,1-6H3/b24-11+,25-19+/t28-,29-,30-,33+,34-,35-,36-/m0/s1
InChIKey SBQAKZYUNWNIRL-WIPKXTQKSA-N
SMILES C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(CC3)=CC(C=C4)=O)[H])[H])(CC[C@@]2(C(COC(/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)=O)=O)O)[H]
ChEBI Ontology
Outgoing Prednisolone farnesylate (CHEBI:32043) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Farnerate (TN) KEGG COMPOUND
PNF 21 KEGG COMPOUND
Prednisolone 21-all-trans-farnesylate KEGG COMPOUND
Prednisolone farnesylate KEGG COMPOUND
Manual Xrefs Databases
2248 DrugCentral
D01998 KEGG DRUG
View more database links
Registry Number Type Source
118244-44-3 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017