chempirical

Deoxycorticosterone acetate

C23H32O4CAS 56-47-3372.51 g/mol

Open in Covalent MOL file
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AlkeneEsterKetone

Properties

Molecular formula
C23H32O4
Molar mass
372.51 g/mol
Exact mass
372.2301 Da
Melting point
157 °C
logP
4.27Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
56-47-3
SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
VPGRYOFKCNULNK-ACXQXYJUSA-N
InChI
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

58 names · show all
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-
  • 11-Deoxycorticosterone, acetate
  • Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate
  • 21-(Acetyloxy)pregn-4-ene-3,20-dione
  • 21-Acetoxy-3,20-diketopregn-4-ene
  • Cortacet
  • Cortate
  • Cortenil
  • Cortesan
  • Cortexone acetate
  • Cortifar
  • Cortigen
  • Cortinaq
  • Cortiron
  • Cortivis
  • Cortixyl
  • DCA
  • Decortin
  • Decorten
  • Decosterone
  • Decostrate
  • 11-Deoxycorticosterone 21-acetate
  • Deoxycorticosterone 21-acetate
  • Deoxycortone acetate
  • Descorterone
  • Descotone
  • Desoxycorticosterone acetate
  • Desoxycortone acetate
  • DOC acetate
  • Dorcostrin
  • Doxo
  • 21-Hydroxypregn-4-ene-3,20-dione 21-acetate
  • 21-Hydroxypregn-4-ene-3,20-dione acetate
  • Krinocorts
  • 11-Desoxycorticosterone acetate
  • Ocriten
  • Percorten
  • Percotol
  • 4-Pregnene-3,20-dione 21-acetate
  • 4-Pregnene-3,20-dione-21-ol acetate
  • Primocort
  • Primocortan
  • Sincortex
  • Steraq
  • Syncort
  • Syncorta
  • Syncortyl
  • Unidocan
  • DOCA
  • 21-Acetoxypregn-4-ene-3,20-dione
  • 21-Acetoxypregn-4-en-3,20-dione
  • Doxycamon
  • Arcort
  • Ocritena
  • Bio-corten
  • Decosteron
  • NSC 9567
  • 21-Hydroxyprogesterone 21-acetate

Work with Deoxycorticosterone 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

Desoxycorticosterone pivalate808-48-078 % similar Corticosterone acetate1173-26-872 % similar 11-Deoxycorticosterone64-85-771 % similar Progesterone57-83-069 % similar Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-266 % similar (17β)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-665 % similar Epitestosterone481-30-160 % similar Testosterone58-22-060 % similar

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

Same formula

17-Acetoxyisopregn-4-ene-3,20-dione17308-02-0 Progesterone acetate302-23-8 (3β,16α)-3-(Acetyloxy)-16,17-epoxypregn-5-en-20-one34209-81-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook