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CHEBI:180659 - 6-beta-Hydroxy-mometasone furoate

ChEBI IDCHEBI:180659
ChEBI Name6-beta-Hydroxy-mometasone furoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30Cl2O7
Net Charge0
Average Mass537.436
Monoisotopic Mass536.13686
SMILES[H][C@@]12C[C@@H](C)[C@](OC(=O)c3ccco3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C(O)CC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C27H30Cl2O7/c1-14-9-17-22-18(31)11-15-10-16(30)6-7-24(15,2)26(22,29)20(32)12-25(17,3)27(14,21(33)13-28)36-23(34)19-5-4-8-35-19/h4-8,10,14,17-18,20,22,31-32H,9,11-13H2,1-3H3/t14-,17+,18?,20+,22-,24+,25+,26-,27+/m1/s1
InChIKeyNVZADOUZVHKHSK-PWHXNIGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
6-beta-Hydroxy-mometasone furoate (CHEBI:180659) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[(8R,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-7,11-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] uran-2-carboxylate
Manual XrefsDatabases
30778589ChemSpider
HMDB0060783HMDB