chempirical

Desoxycorticosterone pivalate

C26H38O4CAS 808-48-0414.59 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C26H38O4
Molar mass
414.59 g/mol
Exact mass
414.2770 Da
Melting point
200–202.5 °C
logP
5.29Crippen 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
808-48-0
SMILES
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
VVOIQBFMTVCINR-WWMZEODYSA-N
InChI
InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Pregn-4-ene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-
  • 11-Deoxycorticosterone, pivalate
  • Corticosterone, deoxy-, pivalate
  • Pivalic acid, ester with 11-deoxycorticosterone
  • 21-(2,2-Dimethyl-1-oxopropoxy)pregn-4-ene-3,20-dione
  • Deoxycorticosterone trimethylacetate
  • Deoxycortone trimethylacetate
  • DTMA
  • 21-Hydroxypregn-4-ene-3,20-dione pivalate
  • Cortexone M
  • Deoxycorticosterone pivalate
  • Neodin-depositum
  • Percorten M
  • Deoxycortone pivalate
  • DOCP
  • Percorten pivalate
  • Desoxycorticosterone trimethylacetate
  • Desoxycortone pivalate
  • NSC 95278
  • Desoxycortisone pivalate
  • Zycortal

Work with Desoxycorticosterone pivalate

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

Deoxycorticosterone acetate56-47-378 % similar 11-Deoxycorticosterone64-85-770 % similar Progesterone57-83-065 % similar Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-265 % similar (17β)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-664 % similar Epitestosterone481-30-159 % similar Testosterone58-22-059 % similar 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-159 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook