Cas no 1228-73-5 (Estra-1,3,5(10)-triene-16,17-dione,3-hydroxy-)

Estra-1,3,5(10)-triene-16,17-dione,3-hydroxy- structure
1228-73-5 structure
Product Name:Estra-1,3,5(10)-triene-16,17-dione,3-hydroxy-
CAS No:1228-73-5
MF:C18H20O3
MW:284.349605560303
CID:178418
PubChem ID:246876
Update Time:2025-04-19

Estra-1,3,5(10)-triene-16,17-dione,3-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Estra-1,3,5(10)-triene-16,17-dione,3-hydroxy-
    • 1,3,5(10)-ESTRATRIEN-3-OL-16,17-DIONE
    • 16-KETOESTRONE
    • 16-Oxoestrone
    • 1228-73-5
    • Estra-1,3,5(10)-triene-16,17-dione, 3-hydroxy-
    • (8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-16,17-dione
    • (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-dione
    • NSC-60462
    • 3-Hydroxy-1,3,5(10)-estratriene-16,17-dione
    • Estra-1,5(10)-triene-16,17-dione, 3-hydroxy-
    • NS00120152
    • DTXSID701261036
    • LMST02010048
    • 113V416QTU
    • Q27115860
    • 3-Hydroxyestra-1,3,5(10)-triene-16,17-dione
    • CHEBI:34166
    • NSC60462
    • SCHEMBL3293028
    • UNII-113V416QTU
    • NSC 60462
    • Inchi： 1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1
    • InChI Key： ANPHVANSJXDRTP-BSXFFOKHSA-N
    • SMILES： O=C1C(C[C@@H]2[C@]1(C)CC[C@@H]1C3C=CC(=CC=3CC[C@@H]21)O)=O

Computed Properties

  • Exact Mass: 284.14100
  • Monoisotopic Mass: 284.141245
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 485
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.4
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.243
  • Boiling Point: 472.9°Cat760mmHg
  • Flash Point: 253.9°C
  • Refractive Index: 1.599
  • PSA: 54.37000
  • LogP: 2.99640

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