Cas no 49751-53-3 (17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate)

17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate structure
49751-53-3 structure
Product Name:17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate
CAS No:49751-53-3
MF:C23H30O5
MW:386.481307506561
CID:932762
PubChem ID:3080806
Update Time:2025-04-19

17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate Chemical and Physical Properties

Names and Identifiers

    • 17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate
    • [(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
    • 49751-53-3
    • 17-Aco-21-OHPDD
    • Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-hydroxy-
    • 17alpha,21-Dihydroxypregna-1,4-diene-3,20-dione 17-acetate
    • 11beta-Deoxyprednisolone 17-acetate
    • 21-Hydroxy-3,20-dioxopregna-1,4-dien-17-yl acetate
    • DTXSID90964389
    • 17-Acetyloxy-21-hydroxypregna-1,4-diene-3,20-dione
    • Inchi： 1S/C23H30O5/c1-14(25)28-23(20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h6,9,12,17-19,24H,4-5,7-8,10-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1
    • InChI Key： JCDKTUWPLLQJBD-JZTHCNPZSA-N
    • SMILES： O(C(C)=O)[C@]1(C(CO)=O)CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 386.20932405g/mol
  • Monoisotopic Mass: 386.20932405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 795
  • 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: 3.7
  • Topological Polar Surface Area: 80.7?2

17,21-dihydroxypregna-1,4-diene-3,20-dione 17-acetate Related Literature

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