chempirical

Testosterone isocaproate

C25H38O3CAS 15262-86-9386.58 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C25H38O3
Molar mass
386.58 g/mol
Exact mass
386.2821 Da
Melting point
79–80 °C
logP
5.87Crippen 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
15262-86-9
SMILES
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
PPYHLSBUTAPNGT-BKWLFHPQSA-N
InChI
InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Androst-4-en-3-one, 17-[(4-methyl-1-oxopentyl)oxy]-, (17β)-
  • Testosterone, 4-methylvalerate
  • Valeric acid, 4-methyl-, ester with testosterone
  • (17β)-17-[(4-Methyl-1-oxopentyl)oxy]androst-4-en-3-one
  • Testosterone 4-methylpentanoate
  • 3-Oxoandrost-4-en-17β-yl isocaproate
  • Testosterone 17-isocaproate
  • NSC 26641
  • 4-Androstene-17β-ol-3-one isocaproate

Work with Testosterone isocaproate

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 cypionate58-20-882 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-280 % similar Testosterone enanthate315-37-777 % similar Testosterone caprinate5721-91-577 % similar Testosterone undecylate5949-44-077 % similar Testosterone phenylpropionate1255-49-874 % similar Testosterone 17-acetate1045-69-874 % similar Androst-4-en-17β-ol-3-one benzoate2088-71-366 % similar

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

Elsewhere

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