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Corticosterone

Athanor · official

C21H30O4 · 346.5 g/mol

IUPAC 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

Also called compound B, glucocorticoid

HormonesLipids
Open in Athanor
The structure of Corticosterone
Drawn from its SMILES with RDKit
Harmful or irritantWarningMay cause an allergic skin reaction

Names and identifiers

IUPAC 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
Synonyms
compound B, glucocorticoid, 17-Deoxycortisol
+ 37 more

Reichstein's substance H, Kendall's compound B, Corticosteron, 11beta,21-Dihydroxyprogesterone, (11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione, 11Beta,21-dihydroxypregn-4-ene-3,20-dione, NSC-9705, 11beta,21-Dihydroxy-4-pregnene-3,20-dione, 4-Pregnene-11beta,21-diol-3,20-dione, DTXSID6022474, CHEBI:16827, W980KJ009P, (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, DTXCID702474, (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, RefChem:579253, 200-019-6, Reichstein's B, 11-Hydroxycorticoaldosterone, 11,21-Dihydroxyprogesterone, 11-beta,21-Dihydroxypregn-3,20-dione, NSC9705, 4-Pregnene-11-beta,21-diol-3,20-dione, Corticosterone (Standard), MFCD00037715, Pregn-4-ene-3,20-dione, 11beta,21-dihydroxy-, Pregn-4-ene-3,20-dione, 11-beta,21-dihydroxy-, (11-beta)-11,21-Dihydroxypregn-4-ene-3,20-dione, MLS000028536, CHEMBL110739, 11.beta.,21-Dihydroxyprogesterone, (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one, NCGC00022472-05, SMR000058318, 4-Pregnene-11.beta.,21-diol-3,20-dione, (11.beta.)-11,21-Dihydroxypregn-4-ene-3,20-dione, 11,12-Dihydroxyprogesterone

Molecular formula
C21H30O4
Empirical formula
C21H30O4
Molecular weight
346.5 g/mol
Exact mass
346.21441
CAS number
50-22-6
PubChem CID
5753
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
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
25
Rings
4
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
TPSA (Ų)
74.6
Formal charge
0
XLogP3
1.9 PubChem
Complexity
638 PubChem
Stereocenters
7 definedCIP: C5: S · C8: S · C9: S · C18: R · C20: S · C21: S · C24: S
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C72.80%
  • H8.73%
  • O18.47%

Isotope pattern

100%346.21423%347.2183.4%348.221349.223

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
2.67 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-3.54 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
4.32 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 346.47
  • log P ≤ 5 (Crippen): 2.67
  • H-bond donors ≤ 5: 2
  • H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 40 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H317May cause an allergic skin reaction (97.5% of reports)

Precautionary statements: P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Safety data sheets on the supplier’s page: TargetMol, Hello Bio, Alfa Chemistry.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  5. [5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.