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CHEBI:50366 - 6-methylprednisolone

ChEBI IDCHEBI:50366
ChEBI Name6-methylprednisolone
Stars
Last Modified6 February 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC(C)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1
InChIKeyVHRSUDSXCMQTMA-UWKORSIYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-methylprednisolone (CHEBI:50366) has functional parent prednisolone (CHEBI:8378)
6-methylprednisolone (CHEBI:50366) is a 11β-hydroxy steroid (CHEBI:35346)
6-methylprednisolone (CHEBI:50366) is a 17α-hydroxy steroid (CHEBI:35342)
6-methylprednisolone (CHEBI:50366) is a 20-oxo steroid (CHEBI:36885)
6-methylprednisolone (CHEBI:50366) is a 21-hydroxy steroid (CHEBI:35344)
6-methylprednisolone (CHEBI:50366) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
6-methylprednisolone (CHEBI:50366) is a primary α-hydroxy ketone (CHEBI:139590)
6-methylprednisolone (CHEBI:50366) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
6α-methylprednisolone (CHEBI:6888) is a 6-methylprednisolone (CHEBI:50366)
IUPAC Name 
11β,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
Synonym  Source
(11β)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dioneChEBI
Registry NumbersSources
Beilstein:7113955Beilstein