chempirical

Testosterone caprinate

C29H46O3CAS 5721-91-5442.68 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C29H46O3
Molar mass
442.68 g/mol
Exact mass
442.3447 Da
Melting point
38 °C
logP
7.57Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
9
Stereocentres
S, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
5721-91-5
SMILES
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
LBERVHLCXUMDOT-MPZZESAYSA-N
InChI
InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Testosterone, decanoate
  • Androst-4-en-3-one, 17-[(1-oxodecyl)oxy]-, (17β)-
  • Decanoic acid, ester with testosterone
  • (17β)-17-[(1-Oxodecyl)oxy]androst-4-en-3-one
  • Testosterone 17-caprinate
  • Testosterone 17-decanoate
  • Testosterone caprate
  • 17β-Hydroxyandrost-4-en-3-one decanoate
  • NSC 26642
  • 4-Androstene-17β-ol-3-one decanoate

Work with Testosterone caprinate

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 enanthate315-37-7100 % similar Testosterone undecylate5949-44-0100 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-278 % similar Testosterone cypionate58-20-877 % similar Testosterone isocaproate15262-86-977 % similar Testosterone phenylpropionate1255-49-870 % similar Testosterone 17-acetate1045-69-869 % similar Nandrolone laurate26490-31-366 % similar

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

Same formula

Nandrolone undecanoate862-89-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook