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CHEBI:32043 - Prednisolone farnesylate

Default Structure
ChEBI IDCHEBI:32043
ChEBI NamePrednisolone farnesylate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC36H50O6
Net Charge0
Average Mass578.790
Monoisotopic Mass578.36074
SMILES[H][C@@]12CC[C@](O)(C(=O)COC(=O)/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=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
InChIKeySBQAKZYUNWNIRL-WIPKXTQKSA-N
ChEBI Ontology
Outgoing Relation(s)
Prednisolone farnesylate (CHEBI:32043) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Farnerate (TN)KEGG COMPOUND
PNF 21KEGG COMPOUND
Prednisolone 21-all-trans-farnesylateKEGG COMPOUND
Prednisolone farnesylateKEGG COMPOUND
Manual XrefsDatabases
2248DrugCentral
D01998KEGG DRUG
Registry NumbersSources
CAS:118244-44-3KEGG COMPOUND