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CHEBI:23736 - 4,5-dihydrocortisone

ChEBI IDCHEBI:23736
ChEBI Name4,5-dihydrocortisone
Stars
DefinitionA 3-oxo steroid that is cortisone in which the double bond between positions 4 and 5 has been reduced to a single bond.
Last Modified6 February 2018
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2CC(=O)CC[C@@]21C
InChIInChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12?,14-,15-,18+,19-,20-,21-/m0/s1
InChIKeyYCLWEYIBFOLMEM-AGIMVQGUSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5-dihydrocortisone (CHEBI:23736) has functional parent cortisone (CHEBI:16962)
4,5-dihydrocortisone (CHEBI:23736) is a 11-oxo steroid (CHEBI:47787)
4,5-dihydrocortisone (CHEBI:23736) is a 17α-hydroxy steroid (CHEBI:35342)
4,5-dihydrocortisone (CHEBI:23736) is a 20-oxo steroid (CHEBI:36885)
4,5-dihydrocortisone (CHEBI:23736) is a 21-hydroxy steroid (CHEBI:35344)
4,5-dihydrocortisone (CHEBI:23736) is a 3-oxo steroid (CHEBI:47788)
4,5-dihydrocortisone (CHEBI:23736) is a primary α-hydroxy ketone (CHEBI:139590)
4,5-dihydrocortisone (CHEBI:23736) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
17,21-dihydroxy-5β-pregnane-3,11,20-trione (CHEBI:18093) is a 4,5-dihydrocortisone (CHEBI:23736)
4,5α-dihydrocortisone (CHEBI:16372) is a 4,5-dihydrocortisone (CHEBI:23736)
Synonym  Source
dihydrocortisoneChEBI
Registry NumbersSources
Reaxys:4206949Reaxys