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CHEBI:180922 - 6alpha-hydroxy-20beta-dihydro-prednisolone

Default Structure
ChEBI IDCHEBI:180922
ChEBI Name6alpha-hydroxy-20beta-dihydro-prednisolone
Stars
Definitionmetabolite of prednisolone
SubmitterR. Stephan
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILES[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-18,22,24-27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKeyQKRMHDGBPFZEAB-RKXUFORYSA-N
ChEBI Ontology
Outgoing Relation(s)
6alpha-hydroxy-20beta-dihydro-prednisolone (CHEBI:180922) is a organic molecular entity (CHEBI:50860)
Synonym  Source
M-X in PMID 25800201SUBMITTER
Citations