Cas no 7690-08-6 (19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI))

19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI) structure
7690-08-6 structure
Product Name:19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI)
CAS No:7690-08-6
MF:C21H28O3
MW:328.445226669312
CID:579517
PubChem ID:11823650
Update Time:2025-04-19

19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • 19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI)
    • 16-Methylene-17a-hydroxy-19-norpregn-4-ene-3,20-dione; Segesterone
    • UNII-09Q5UV3747
    • 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-
    • (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-16-methylidene-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Q24882947
    • SCHEMBL7053392
    • SEGESTERONE [WHO-DD]
    • 17alpha-Deacetyl-Nestorone
    • DB14584
    • DTXSID00998190
    • 7690-08-6
    • Nestorone alcohol
    • Segesterone (USAN/INN)
    • Segesterone [USAN:INN]
    • SEGESTERONE [USAN]
    • 09Q5UV3747
    • Segesterone [INN]
    • 17-Hydroxy-16-methylene-19-norpregn-4-ene-3,20-dione
    • D10987
    • CHEMBL2107778
    • Segesterone
    • Inchi: 1S/C21H28O3/c1-12-10-19-18-6-4-14-11-15(23)5-7-16(14)17(18)8-9-20(19,3)21(12,24)13(2)22/h11,16-19,24H,1,4-10H2,2-3H3/t16-,17+,18+,19-,20-,21-/m0/s1
    • InChI Key: SFLXYFZGKSGFKA-XUDSTZEESA-N
    • SMILES: O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 328.20384475g/mol
  • Monoisotopic Mass: 328.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 660
  • 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: 2.3
  • Topological Polar Surface Area: 54.4?2
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