chempirical

Biocort acetate

C23H30O6CAS 50-04-4402.49 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterKetone

Properties

Molecular formula
C23H30O6
Molar mass
402.49 g/mol
Exact mass
402.2042 Da
Melting point
222 °C
logP
2.56Crippen estimate
Polar surface area
97.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3
Stereocentres
R, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
50-04-4
SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
InChIKey
ITRJWOMZKQRYTA-RFZYENFJSA-N
InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

24 names · show all
  • Cortisone, 21-acetate
  • Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-
  • Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-, 21-acetate
  • 21-Acetoxy-17α-hydroxypregn-4-ene-3,11,20-trione
  • 21-Acetoxy-17α-hydroxy-3,11,20-triketopregnene-4
  • Artriona
  • Compound E acetate
  • Cortelan
  • Cortisone acetate
  • Cortistab
  • Cortisyl
  • Cortone acetate
  • 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21 acetate
  • Irisone acetate
  • 4-Pregnene-17a,21-diol-3,11,20-trione 21-acetate
  • Ricortex
  • Adreson
  • 21-Acetoxy-17-hydroxypregn-4-ene-3,11,20-trione
  • Incortin
  • Scheroson
  • Corlin
  • Cortadren
  • Cortisyl artriona
  • NSC 49420

Work with Biocort acetate

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-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-978 % similar Cortisone53-06-575 % similar 21-Deoxycortisone1882-82-272 % similar Hydrocortisone acetate50-03-371 % similar Prednisone acetate125-10-068 % similar Adrenosterone382-45-658 % similar 11-Deoxycortisol152-58-957 % similar Fludrocortisone acetate514-36-356 % similar

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

Same formula

Prednisolone acetate52-21-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook