CHEBI:180927 - 4,5-dihydro-6beta-hydroxy-20beta-dihydro-prednisolone

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ChEBI Name 4,5-dihydro-6beta-hydroxy-20beta-dihydro-prednisolone
ChEBI ID CHEBI:180927
Definition metabolite of prednisolone
Stars This entity has been manually annotated by a third party.
Submitter R. Stephan
Supplier Information ZINC000008214766
Download Molfile XML SDF
Formula C21H32O6
Net Charge 0
Average Mass 380.481
Monoisotopic Mass 380.21989
InChI InChI=1S/C21H32O6/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/h3,5,12-18,22,24-27H,4,6-10H2,1-2H3/t12-,13-,14?,15+,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey ZAIGQHAAMNRBCH-ASFMMTGXSA-N
SMILES C[C@]12C=CC(CC1[C@](C[C@@]3([H])[C@@]4(CC[C@]([C@@H](CO)O)([C@@]4(C)C[C@@]([H])([C@@]32[H])O)O)[H])([H])O)=O
ChEBI Ontology
Outgoing 4,5-dihydro-6beta-hydroxy-20beta-dihydro-prednisolone (CHEBI:180927) is a organic molecular entity (CHEBI:50860)
Synonym Source
M-XV in PMID 25800201 SUBMITTER
Citation Type Source
25800201 PubMed citation SUBMITTER