Cas no 19457-57-9 (Pregn-4-ene-3,20-dione,6-methylene-)

Pregn-4-ene-3,20-dione,6-methylene- structure
19457-57-9 structure
Product Name:Pregn-4-ene-3,20-dione,6-methylene-
CAS No:19457-57-9
MF:C22H30O2
MW:326.472406864166
CID:192573
PubChem ID:119075
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,6-methylene- Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,6-methylene-
    • 6-Methylene Progesterone
    • 6-methylene-4-pregnene-3,20-dione
    • 6-Methylenepregn-4-ene-3,20-dione
    • 6-methylidenepregn-4-ene-3,20-dione
    • LY 207320
    • LY-207320
    • AKOS040749994
    • SCHEMBL1444719
    • LY207320
    • 19457-57-9
    • 6-Methyleneprogesterone
    • DTXSID00941207
    • (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6-methylidene-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Pregn-4-ene-3,20-dione, 6-methylene-
    • Inchi： 1S/C22H30O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h12,16-19H,1,5-11H2,2-4H3/t16-,17+,18-,19-,21+,22+/m0/s1
    • InChI Key： BKWJSCFKITXBBM-NTNOATJHSA-N
    • SMILES： O=C(C)[C@H]1CC[C@H]2[C@@H]3CC(=C)C4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 326.2247
  • Monoisotopic Mass: 326.224580195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 657
  • 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: 34.1?2

Experimental Properties

  • PSA: 34.14

Pregn-4-ene-3,20-dione,6-methylene- Related Literature

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