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CHEBI:78596 - 21-dehydrocortisone

ChEBI IDCHEBI:78596
ChEBI Name21-dehydrocortisone
Stars
DefinitionA C21-steroid that is cortisone in which the 21-hydroxy group has been oxidised to the corresponding aldehyde.
Last Modified6 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILES[H][C@@]12CC[C@](O)(C(=O)C=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H26O5/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/h9,11,14-15,18,26H,3-8,10H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKeyDJLICGGNASJAQR-ZPOLXVRWSA-N
ChEBI Ontology
Outgoing Relation(s)
21-dehydrocortisone (CHEBI:78596) has functional parent progesterone (CHEBI:17026)
21-dehydrocortisone (CHEBI:78596) has parent hydride 5α-pregnane (CHEBI:20656)
21-dehydrocortisone (CHEBI:78596) is a 11-oxo steroid (CHEBI:47787)
21-dehydrocortisone (CHEBI:78596) is a 17α-hydroxy steroid (CHEBI:35342)
21-dehydrocortisone (CHEBI:78596) is a 20-oxo steroid (CHEBI:36885)
21-dehydrocortisone (CHEBI:78596) is a 21-oxo steroid (CHEBI:36886)
21-dehydrocortisone (CHEBI:78596) is a 3-oxo-Δ4 steroid (CHEBI:47909)
21-dehydrocortisone (CHEBI:78596) is a C21-steroid (CHEBI:61313)
21-dehydrocortisone (CHEBI:78596) is a steroid aldehyde (CHEBI:131565)
21-dehydrocortisone (CHEBI:78596) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
17-hydroxy-3,11,20-trioxopregn-4-en-21-al
Synonyms  Source
17α-hydroxypregn-4-en-3,11,20-trione-21-alChEBI
4-pregnen-17α-ol-3,11,20-trione-21-alSUBMITTER
UniProt Name  Source
17α-hydroxypregn-4-en-3,11,20-trione-21-alUniProt
Registry NumbersSources
Reaxys:3170812Reaxys