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CHEBI:197197 - 15beta-hydroxycyproterone acetate

ChEBI IDCHEBI:197197
ChEBI Name15beta-hydroxycyproterone acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29ClO5
Net Charge0
Average Mass432.944
Monoisotopic Mass432.17035
SMILES[H][C@@]12C=C(Cl)C3=CC(=O)C4CC4[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C(O)C[C@]1(OC(C)=O)C(C)=O
InChIInChI=1S/C24H29ClO5/c1-11(26)24(30-12(2)27)10-20(29)21-14-8-18(25)17-9-19(28)13-7-16(13)23(17,4)15(14)5-6-22(21,24)3/h8-9,13-16,20-21,29H,5-7,10H2,1-4H3/t13?,14-,15+,16?,20?,21-,22+,23+,24+/m1/s1
InChIKeyHRANPRDGABOKNQ-RXHWKJIASA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
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)
15beta-hydroxycyproterone acetate (CHEBI:197197) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
[(1S,2S,11R,12S,15R,16S)-15-acetyl-9-chloro-13-hydroxy-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
Manual XrefsDatabases
170395ChemSpider
HMDB0060708HMDB