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CHEBI:63843 - 17α-hydroxypregn-5-ene-3,20-dione

ChEBI IDCHEBI:63843
ChEBI Name17α-hydroxypregn-5-ene-3,20-dione
Stars
ASCII Name17alpha-hydroxypregn-5-ene-3,20-dione
DefinitionA C21-steroid that is pregnane which contains a double bond between positions 5 and 6 and is substituted by oxo groups at positions 3 and 20 as well as a hydroxy group at position 17.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CC=C3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O
InChIInChI=1S/C21H30O3/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/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKeyRCFJDVCRANOZEL-CEGNMAFCSA-N
ChEBI Ontology
Outgoing Relation(s)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) has parent hydride pregnane (CHEBI:8386)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 17α-hydroxy steroid (CHEBI:35342)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 17α-hydroxy-C21-steroid (CHEBI:138141)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 20-oxo steroid (CHEBI:36885)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 3-oxo-Δ5-steroid (CHEBI:47907)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a C21-steroid (CHEBI:61313)
17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
17-hydroxypregn-5-ene-3,20-dione
Synonyms  Source
pregn-5-ene-3,20-dione-17-olChEBI
17-HydroxypregnenedioneChemIDplus
Registry NumbersSources
Reaxys:3104241Reaxys
CAS:641-80-5ChemIDplus