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CHEBI:172555 - 15beta-Hydroxydesogestrel

ChEBI IDCHEBI:172555
ChEBI Name15beta-Hydroxydesogestrel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O2
Net Charge0
Average Mass326.480
Monoisotopic Mass326.22458
SMILES[H][C@@]12CCC3=CC(O)CC[C@]3([H])C1C(=C)C[C@@]1(CC)C2CCC1(O)C#C
InChIInChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16?,17-,18-,19?,20?,21-,22?/m0/s1
InChIKeyZMLDTNLDYRJTAZ-MTRZUGBVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
15beta-Hydroxydesogestrel (CHEBI:172555) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8S,10R,13S)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Manual XrefsDatabases
23976503ChemSpider
HMDB0060707HMDB