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CHEBI:135762 - methylprednisolone aceponate

ChEBI IDCHEBI:135762
ChEBI Namemethylprednisolone aceponate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC27H36O7
Net Charge0
Average Mass472.578
Monoisotopic Mass472.24610
SMILES[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1
InChIKeyDALKLAYLIPSCQL-YPYQNWSCSA-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)
methylprednisolone aceponate (CHEBI:135762) is a corticosteroid hormone (CHEBI:36699)
Synonym  Source
advantanDrugCentral
Manual XrefsDatabases
1769DrugCentral
Registry NumbersSources
CAS:86401-95-8DrugCentral