BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Corticosterone

Graphical representations:

corticosterone image

Molecular Formula: C21 H30 O4

Natural Isotopic Abundance Mass: 346.4605

Mono-Isotopic Molecular Masses:

  • C12N14: 346.2144094514
  • C13N14: 367.2848610452
  • C12N15: 346.2144094514
  • C13N15: 367.2848610452

InCHi String:

canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O

isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

PUBCHEM iupac TRADITIONAL NAME
(8S,9S,10R,11S,13S,14S,17S)-17-glycoloyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

PUBCHEM iupac CAS NAME
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

PUBCHEM iupac SYSTEMATIC NAME
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

PubChem Substance (SID):   111677807   56313244   5219
PubChem Compound (CID):   5753
KEGG: Compound ID   C02140
CAS Registry IDs:   50-22-6
PDB Chemical Component   C0R
Miscellaneous Databases and IDs:   Sigma-Aldrich C2505_SIGMA   ChEBI CHEBI:16827   EPA DSSTox 48169   ChemBank BSPBio_000444   LipidMAPS LMST02030186   MMCD cq_01355   MDL MFCD00037715

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.