Cas no 6318-07-6 ((17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one)

(17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one structure
6318-07-6 structure
Product Name:(17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one
CAS No:6318-07-6
MF:C20H30O2
MW:302.451006412506
CID:959023
PubChem ID:230975
Update Time:2025-04-19

(17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one Chemical and Physical Properties

Names and Identifiers

    • (17beta)-17-ethyl-17-hydroxyestr-5(10)-en-3-one
    • 17-ETHYNYLESTRADIOL; 17a-Ethynylestriol); 17-Ethynylestriol;
    • 17-alpha-Ethyl-19-nor-delta(sup 5(10))-androsten-17-beta-ol-3-one
    • 6318-07-6
    • Q27148621
    • 17-Hydroxy-19-norpregn-5(10)-en-3-one
    • 17-Hydroxy-19-nor-17-alpha-pregn-5(10)-en-3-one
    • NSC-26421
    • (8R,9S,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
    • NSC26421
    • 19-Nor-17-alpha-pregn-5(10)-en-3-one, 17-beta-hydroxy-
    • CHEBI:79526
    • 17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one
    • NSC 26421
    • 19-Nor-17-alpha-pregn-5(10)-en-3-one, 17-hydroxy-
    • DTXSID30979159
    • Inchi: 1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h16-18,22H,3-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
    • InChI Key: FWRAUZJFURIEHP-SLHNCBLASA-N
    • SMILES: O[C@@]1(CC)CC[C@H]2[C@@H]3CCC4CC(CCC=4[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 302.2247
  • Monoisotopic Mass: 302.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 534
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.11
  • Boiling Point: 441.9°C at 760 mmHg
  • Flash Point: 188.4°C
  • Refractive Index: 1.555
  • PSA: 37.3
  • LogP: 4.41340
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