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CHEBI:177423 - Oxogestone Phenpropionate

ChEBI IDCHEBI:177423
ChEBI NameOxogestone Phenpropionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O3
Net Charge0
Average Mass434.620
Monoisotopic Mass434.28210
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@H](C)OC(=O)CCc1ccccc1
InChIInChI=1S/C29H38O3/c1-19(32-28(31)15-8-20-6-4-3-5-7-20)26-13-14-27-25-11-9-21-18-22(30)10-12-23(21)24(25)16-17-29(26,27)2/h3-7,18-19,23-27H,8-17H2,1-2H3/t19-,23+,24-,25-,26-,27+,29-/m1/s1
InChIKeyLHPBUFXEIOLURH-GQZONRFDSA-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)
Oxogestone Phenpropionate (CHEBI:177423) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[(1R)-1-[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 3-phenylpropanoate
Manual XrefsDatabases
16736681ChemSpider
D05308KEGG DRUG
Registry NumbersSources
CAS:16915-80-3ChemIDplus