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CHEBI:177414 - Meclorisone dibutyrate

ChEBI IDCHEBI:177414
ChEBI NameMeclorisone dibutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40Cl2O6
Net Charge0
Average Mass567.550
Monoisotopic Mass566.22019
SMILES[H][C@@]12C[C@@H](C)[C@](OC(=O)CCC)(C(=O)COC(=O)CCC)[C@@]1(C)C[C@H](Cl)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C30H40Cl2O6/c1-6-8-25(35)37-17-24(34)30(38-26(36)9-7-2)18(3)14-22-21-11-10-19-15-20(33)12-13-27(19,4)29(21,32)23(31)16-28(22,30)5/h12-13,15,18,21-23H,6-11,14,16-17H2,1-5H3/t18-,21+,22+,23+,27+,28+,29+,30+/m1/s1
InChIKeyHUXCOHMTWUSXGY-GAPIFECDSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Meclorisone dibutyrate (CHEBI:177414) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
Manual XrefsDatabases
61911ChemSpider
D04878KEGG DRUG
Registry NumbersSources
CAS:10549-91-4ChemIDplus