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CHEBI:233716 - 17a,20a-dihydroxy-5a-pregnan-3-one

Default Structure
ChEBI IDCHEBI:233716
ChEBI Name17a,20a-dihydroxy-5a-pregnan-3-one
Stars
SubmitterJoanne
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILESCC(O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC21C
InChIInChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-14,16-18,22,24H,4-12H2,1-3H3
InChIKeyMPTVBUPVUGSWNS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
17a,20a-dihydroxy-5a-pregnan-3-one (CHEBI:233716) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Synonym  Source
1-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-dodecahydro-2H-cyclopenta[a]phenanthren-7-oneSUBMITTER
Citations