Cas no 97055-11-3 (Pregna-1,4-diene-3,20-dione,14-hydroxy- (9CI))

Pregna-1,4-diene-3,20-dione,14-hydroxy- (9CI) structure
97055-11-3 structure
Product Name:Pregna-1,4-diene-3,20-dione,14-hydroxy- (9CI)
CAS No:97055-11-3
MF:C21H28O3
MW:328.445226669312
CID:808746
PubChem ID:126159
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,14-hydroxy- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,14-hydroxy- (9CI)
    • 14-hydroxypregna-1,4-diene-3,20-dione
    • DTXSID80914196
    • 14a-hydroxypregna-1,4-diene-3,20-dione
    • Pregna, 1,4-diene-3,20-dione, 14-hydroxy-
    • 97055-11-3
    • SCHEMBL571174
    • 14-OH-Pdd
    • Inchi： 1S/C21H28O3/c1-13(22)16-8-11-21(24)18-5-4-14-12-15(23)6-9-19(14,2)17(18)7-10-20(16,21)3/h6,9,12,16-18,24H,4-5,7-8,10-11H2,1-3H3/t16-,17+,18-,19+,20-,21-/m1/s1
    • InChI Key： NEJRQZFTRAYLHK-JRBOJVLQSA-N
    • SMILES： O[C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@H]1[C@]3(C=CC(C=C3CC[C@@H]21)=O)C

Computed Properties

  • Exact Mass: 328.203845
  • Monoisotopic Mass: 328.203845
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 675
  • 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
  • Topological Polar Surface Area: 54.4
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.17
  • Boiling Point: 483.9°Cat760mmHg
  • Flash Point: 260.6°C
  • Refractive Index: 1.575

Pregna-1,4-diene-3,20-dione,14-hydroxy- (9CI) Related Literature

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