Cas no 488836-58-4 (Testosterone tridecanoate)

Testosterone tridecanoate structure
Testosterone tridecanoate structure
Product Name:Testosterone tridecanoate
CAS No:488836-58-4
MF:C32H52O3
MW:484.7535
CID:2084873
Update Time:2021-01-12

Testosterone tridecanoate Chemical and Physical Properties

Names and Identifiers

    • Testosterone Tridecanoate
    • [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] tridecanoate
    • 33T917L157
    • Q27256293
    • Testosterone tridecanoate
    • Inchi: 1S/C32H52O3/c1-4-5-6-7-8-9-10-11-12-13-14-30(34)35-29-18-17-27-26-16-15-24-23-25(33)19-21-31(24,2)28(26)20-22-32(27,29)3/h23,26-29H,4-22H2,1-3H3/t26-,27-,28-,29-,31-,32-/m0/s1
    • InChI Key: MOFKIKISDIQWLD-NQPKZJONSA-N
    • SMILES: O(C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H])=O

Computed Properties

  • Exact Mass: 484.391646g/mol
  • Monoisotopic Mass: 484.391646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 13
  • Complexity: 769
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 43.4
  • Molecular Weight: 484.8g/mol

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