chempirical

Androst-4-en-17β-ol-3-one benzoate

C26H32O3CAS 2088-71-3392.54 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C26H32O3
Molar mass
392.54 g/mol
Exact mass
392.2351 Da
Melting point
200 °C
logP
5.74Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
S, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
2088-71-3
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1
InChIKey
RZJSCADWIWNGKI-IXKNJLPQSA-N
InChI
InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1

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

Names and synonyms

8 names
  • Testosterone, benzoate
  • Androst-4-en-3-one, 17-(benzoyloxy)-, (17β)-
  • (17β)-17-(Benzoyloxy)androst-4-en-3-one
  • 17β-Benzoyloxyandrost-4-en-3-one
  • Testosterone 17-benzoate
  • 17β-Hydroxyandrost-4-en-3-one benzoate
  • NSC 524278
  • 4-Androstene-17β-ol-3-one benzoate

Work with Androst-4-en-17β-ol-3-one benzoate

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

Testosterone phenylpropionate1255-49-875 % similar Testosterone 17-acetate1045-69-869 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-267 % similar Testosterone isocaproate15262-86-966 % similar Testosterone cypionate58-20-864 % similar Testosterone enanthate315-37-762 % similar Testosterone caprinate5721-91-562 % similar Testosterone undecylate5949-44-062 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook