chempirical

21-Deoxycortisone

C21H28O4CAS 1882-82-2344.45 g/mol

Open in Covalent MOL file
OHOOO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H28O4
Molar mass
344.45 g/mol
Exact mass
344.1988 Da
Density
1.25 g/mL
Melting point
236–239 °C
logP
3.02Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
R, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
1882-82-2
SMILES
CC(=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
PUKLDDOGISCFCP-JSQCKWNTSA-N
InChI
InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Pregn-4-ene-3,11,20-trione, 17-hydroxy-
  • 17-Hydroxypregn-4-ene-3,11,20-trione
  • 6-Pregn-4-en-17α-ol-3,11,20-trione
  • 4-Pregnene-17α-ol-3,11,20-trione
  • 17α-Hydroxypregn-4-ene-3,11,20-trione
  • 21-Desoxycortisone
  • 17α-Hydroxy-11-oxoprogesterone
  • NSC 38722

Work with 21-Deoxycortisone

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

Same formula

(11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-2 Deprodone20423-99-8

Elsewhere

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