Cas no 96728-14-2 (Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI))

Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI) structure
96728-14-2 structure
Product Name:Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI)
CAS No:96728-14-2
MF:C21H30O5
MW:362.459907054901
CID:804296
PubChem ID:108888
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI)
    • Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystati
    • Timodine
    • 11,17,21-Trihydroxypregn-4-ene-3,20-dione
    • DTXSID00242468
    • EN300-20345771
    • AKOS030254833
    • H0533
    • 96728-14-2
    • (8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (+-)-
    • 60103-17-5
    • SCHEMBL143923
    • (1R,3aS,3bS,9aR,9bS,11aS)-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
    • Inchi： 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16?,18+,19-,20-,21-/m0/s1
    • InChI Key： JYGXADMDTFJGBT-KZUKIWJVSA-N
    • SMILES： O[C@]1(C(CO)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3C(C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 362.20932405g/mol
  • Monoisotopic Mass: 362.20932405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 684
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 94.8?2

Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI) Related Literature

96728-14-2 (Pregn-4-ene-3,20-dione,11,17,21-trihydroxy-, (11b)-, mixt. with alkylbenzyldimethylammonium chlorides, dimethicone andnystatin (9CI)) Related Products

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