CHEBI:175174 - 2-Hydroxydesogestrel

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Hydroxydesogestrel
ChEBI ID CHEBI:175174
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O2
Net Charge 0
Average Mass 326.480
Monoisotopic Mass 326.22458
InChI InChI=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
InChIKey QIHOGMOPCFYMJU-MTRZUGBVSA-N
SMILES OC1([C@@]2(C([C@]3(C([C@@]4(C(CC3)=CCC(O)C4)[H])C(C2)=C)[H])CC1)CC)C#C
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0060719 HMDB
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