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prednisolone-16-carboxylic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_47888

Term info

Label

prednisolone-16-carboxylic acid

Synonyms
  • 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylic acid
Subsets

3_STAR

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

charge

0

formula

C22H28O7

has obo namespace

chebi_ontology

has related synonym

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

id

CHEBI:47888

inchi

InChI=1S/C22H28O7/c1-20-6-5-12(24)7-11(20)3-4-13-14-8-15(19(27)28)22(29,17(26)10-23)21(14,2)9-16(25)18(13)20/h5-7,13-16,18,23,25,29H,3-4,8-10H2,1-2H3,(H,27,28)/t13-,14-,15?,16-,18+,20-,21-,22-/m0/s1

inchikey

KDXQRWCHLWOYTA-PYQKVRMJSA-N

mass

404.45352

monoisotopicmass

404.18350

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)=O)[C@]1(O)C(=O)CO