chempirical

Testosterone phenylpropionate

C28H36O3CAS 1255-49-8420.59 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C28H36O3
Molar mass
420.59 g/mol
Exact mass
420.2664 Da
Melting point
116.5 °C
logP
6.06Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
Stereocentres
S, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
1255-49-8
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1
InChIKey
HHSXYDOROIURIP-FEZCWRLCSA-N
InChI
InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17β)-
  • Testosterone, hydrocinnamate
  • Hydrocinnamic acid, ester with testosterone
  • (17β)-17-(1-Oxo-3-phenylpropoxy)androst-4-en-3-one
  • Hydrocinnamic acid, testosterone ester
  • 3-Oxoandrost-4-en-17β-yl β-phenylpropionate
  • Testosterone 17-phenylpropionate
  • Retandrol
  • Testosterone phenpropionate
  • Androject
  • NSC 26643
  • Testosterone phenylpropanoate

Work with Testosterone phenylpropionate

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

Androst-4-en-17β-ol-3-one benzoate2088-71-375 % similar Testosterone isocaproate15262-86-974 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-273 % similar Testosterone cypionate58-20-872 % similar Testosterone enanthate315-37-770 % similar Testosterone caprinate5721-91-570 % similar Testosterone undecylate5949-44-070 % similar Nandrolone phenylpropionate62-90-867 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook