chempirical

Corticosterone

C21H30O4CAS 50-22-6346.47 g/mol

Open in Covalent MOL file
OHOOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H30O4
Molar mass
346.47 g/mol
Exact mass
346.2144 Da
Melting point
181 °C
logP
2.67Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
S, S, S, S, R, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
50-22-6
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
InChIKey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Pregn-4-ene-3,20-dione, 11,21-dihydroxy-, (11β)-
  • (11β)-11,21-Dihydroxypregn-4-ene-3,20-dione
  • 11,21-Dihydroxyprogesterone
  • Kendall's compound B
  • 4-Pregnene-11β,21-diol-3,20-dione
  • Reichstein's substance H
  • 17-Deoxycortisol
  • 11β,21-Dihydroxypregn-4-ene-3,20-dione
  • 11-Hydroxycorticoaldosterone
  • 11β,21-Dihydroxyprogesterone
  • Corticosteron
  • NSC 9705

Work with Corticosterone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11α-Hydroxyprogesterone80-75-176 % similar Aldosterone52-39-176 % similar Corticosterone acetate1173-26-875 % similar 11-Deoxycorticosterone64-85-771 % similar Cortisol50-23-759 % similar Pregn-4-ene-3,11,20-trione516-15-453 % similar Epitestosterone481-30-152 % similar Testosterone58-22-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

11-Deoxycortisol152-58-9 Algestone595-77-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia