chempirical

Cortisone

C21H28O5CAS 53-06-5360.45 g/mol

Open in Covalent MOL file
OOHOOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H28O5
Molar mass
360.45 g/mol
Exact mass
360.1937 Da
Melting point
222 °C
logP
1.99Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2
Stereocentres
R, S, S, S, S, Rin SMILES atom order

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
53-06-5
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChIKey
MFYSYFVPBJMHGN-ZPOLXVRWSA-N
InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-
  • 17,21-Dihydroxypregn-4-ene-3,11,20-trione
  • Adrenalex
  • Compound E (cortisone)
  • Cortisate
  • Cortivite
  • Cortogen
  • Cortone
  • 11-Dehydro-17-hydroxycorticosterone
  • 17α,21-Dihydroxy-4-pregnene-3,11,20-trione
  • 17-Hydroxy-11-dehydrocorticosterone
  • 17α-Hydroxy-11-dehydrocorticosterone
  • KE
  • Kendall's compound E
  • Pregn-4-en-17α,21-diol-3,11,20-trione
  • δ4-Pregnene-17α,21-diol-3,11,20-trione
  • Reichstein's substance Fa
  • Wintersteiner's compound F
  • 17α,21β-Dihydroxy-4-pregnene-3,11,20-trione
  • NSC 9703

Work with Cortisone

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

21-Deoxycortisone1882-82-276 % similar 11-Deoxycortisol152-58-976 % similar Biocort acetate50-04-475 % similar Cortisol50-23-769 % similar Prednisone53-03-265 % similar Adrenosterone382-45-661 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-957 % similar 17β-Hydroxyprogesterone604-09-156 % similar

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

Same formula

Prednisolone50-24-8 Aldosterone52-39-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia