Terminology Service for NFDI4Health
JSON

methyl prednisolone-16-carboxylate

Go to external page http://purl.obolibrary.org/obo/CHEBI_47886

Term info

Label

methyl prednisolone-16-carboxylate

Synonyms
  • methyl 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate [ IUPAC ]

charge

0

formula

C23H30O7

has obo namespace

chebi_ontology

has related synonym

methyl (11beta)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate

id

CHEBI:47886

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

mass

418.48010

monoisotopicmass

418.19915

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