CHEBI:47886 - methyl prednisolone-16-carboxylate

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ChEBI Name methyl prednisolone-16-carboxylate
ChEBI ID CHEBI:47886
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H30O7
Net Charge 0
Average Mass 418.48010
Monoisotopic Mass 418.19915
InChI InChI=1S/C23H30O7/c1-21-7-6-13(25)8-12(21)4-5-14-15-9-16(20(28)30-3)23(29,18(27)11-24)22(15,2)10-17(26)19(14)21/h6-8,14-17,19,24,26,29H,4-5,9-11H2,1-3H3/t14-,15-,16?,17-,19+,21-,22-,23-/m0/s1
InChIKey SNIXVWCOGOOOGH-ZIIXMLBZSA-N
SMILES [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC(C(=O)OC)[C@]1(O)C(=O)CO
ChEBI Ontology
Outgoing methyl prednisolone-16-carboxylate (CHEBI:47886) has functional parent prednisolone-16-carboxylic acid (CHEBI:47888)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a 11β-hydroxy steroid (CHEBI:35346)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a 17α-hydroxy steroid (CHEBI:35342)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a 20-oxo steroid (CHEBI:36885)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a 21-hydroxy steroid (CHEBI:35344)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a primary α-hydroxy ketone (CHEBI:139590)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a steroid acid ester (CHEBI:47887)
methyl prednisolone-16-carboxylate (CHEBI:47886) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming methyl prednisolone-16α-carboxylate (CHEBI:47890) is a methyl prednisolone-16-carboxylate (CHEBI:47886)
IUPAC Name
methyl 11β,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate
Synonym Source
methyl (11β)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate ChEBI
Registry Number Type Source
10733581 Beilstein Registry Number Beilstein
Last Modified
07 February 2018