Cas no 14009-70-2 (18-Methyl Mestranol)

18-Methyl Mestranol structure
18-Methyl Mestranol structure
Product Name:18-Methyl Mestranol
CAS No:14009-70-2
MF:C22H28O2
MW:324.456526756287
CID:1063814
PubChem ID:22790399
Update Time:2025-04-20

18-Methyl Mestranol Chemical and Physical Properties

Names and Identifiers

    • 18-Methyl Mestranol
    • 13β-ethyl-3-methoxy-17α-ethynyl-gona-1,3,5(10)-trien-17β-ol
    • LEVONORGESTREL-A-AROMATIC IMPURITY
    • Levonorgestrel EP impurity V
    • ZCF0F7MT4V
    • 18,19-DINORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 13-ETHYL-3-METHOXY-, (17.ALPHA.)-
    • AKOS032958211
    • AT37871
    • LEVONORGESTREL IMPURITY V [EP IMPURITY]
    • SCHEMBL11863714
    • 13-ETHYL-3-METHOXY-18,19-DINOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL
    • 14009-70-2
    • (17alpha)-13-Ethyl-3-methoxy-18,19-dinorpregna-1,3,5(10)-trien-20-yn-17-ol; 13beta-Ethyl-17alpha-ethynyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol;
    • (8R,9s,13s,14s,17r)-13-ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
    • Inchi: 1S/C22H28O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,7,9,14,18-20,23H,4,6,8,10-13H2,1,3H3/t18-,19-,20+,21+,22+/m1/s1
    • InChI Key: NXKYEZGQCNWQRT-AANPDWTMSA-N
    • SMILES: O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3CC[C@@]21CC)OC

Computed Properties

  • Exact Mass: 324.20900
  • Monoisotopic Mass: 324.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 533
  • 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: 4.4
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46000
  • LogP: 4.30570

18-Methyl Mestranol Security Information

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