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CHEBI:175174 - 2-Hydroxydesogestrel

ChEBI IDCHEBI:175174
ChEBI Name2-Hydroxydesogestrel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O2
Net Charge0
Average Mass326.480
Monoisotopic Mass326.22458
SMILES[H][C@@]12CCC3=CCC(O)C[C@]3([H])C1C(=C)C[C@@]1(CC)C2CCC1(O)C#C
InChIInChI=1S/C22H30O2/c1-4-21-13-14(3)20-17(19(21)10-11-22(21,24)5-2)9-7-15-6-8-16(23)12-18(15)20/h2,6,16-20,23-24H,3-4,7-13H2,1H3/t16?,17-,18-,19?,20?,21-,22?/m0/s1
InChIKeyQIHOGMOPCFYMJU-MTRZUGBVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxydesogestrel (CHEBI:175174) has parent hydride estrane (CHEBI:23966)
2-Hydroxydesogestrel (CHEBI:175174) is a steroid (CHEBI:35341)
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-2,17-diol
Manual XrefsDatabases
HMDB0060719HMDB