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CHEBI:135785 - prednisolone valerate acetate

ChEBI IDCHEBI:135785
ChEBI Nameprednisolone valerate acetate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
SMILES[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
InChIKeyDGYSDXLCLKPUBR-SLPNHVECSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
prednisolone valerate acetate (CHEBI:135785) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
prednisolone 21-acetate 17-valerateDrugCentral
aceprevalDrugCentral
prednisolone 17-valerate 21-acetateDrugCentral
Manual XrefsDatabases
2252DrugCentral
Registry NumbersSources
CAS:72064-79-0DrugCentral