Cas no 14531-89-6 (Estra-4,9-dien-3-one,17-hydroxy-17-methyl-, (17b)-)

Estra-4,9-dien-3-one,17-hydroxy-17-methyl-, (17b)- structure
14531-89-6 structure
Product Name:Estra-4,9-dien-3-one,17-hydroxy-17-methyl-, (17b)-
CAS No:14531-89-6
MF:C19H26O2
MW:286.408545970917
CID:211108
PubChem ID:57495136
Update Time:2025-04-19

Estra-4,9-dien-3-one,17-hydroxy-17-methyl-, (17b)- Chemical and Physical Properties

Names and Identifiers

    • Estra-4,9-dien-3-one,17-hydroxy-17-methyl-, (17b)-
    • Methyldienolone
    • (8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
    • RU 3467
    • Methyldienolone (CRM)
    • RDJBOAMEIJEKEY-XWSJACJDSA-N
    • 17β-Hydroxy-17- Methylestra-4,9-dien-3-one
    • (17β)-17-Hydroxy-17-Methylestra-4,9-dien-3-one
    • 17a-Methyl-17b-hydroxyestra-4,9(10)dien-3-one.
    • 17A-METHYL,17BETA-HYDROXY-ESTRA-4,9-DIENE-3-ONE
    • (17beta)-17-Hydroxy-17-methylestra-4,9-dien-3-one
    • Estra-4,9-dien-3-one,17-hydroxy-17-methyl-, (17b)
    • DTXSID70726902
    • Methyldienolone (1mg/ml in Acetonitrile)
    • Q6823970
    • Methyldienolone (1.0 mg/ml in Acetone)
    • 17beta-hydroxy-17alpha-methylestra-4,9-dien-3-one
    • 17alpha-Methyl-17beta-hydroxyestr-4,9(10)-dien-3-one
    • SCHEMBL4121641
    • RU-3467
    • 1K4L979D9L
    • 14531-89-6
    • (17.BETA.)-17-HYDROXY-17-METHYLESTRA-4,9-DIEN-3-ONE
    • Estra-4,9-dien-3-one, 17-hydroxy-17-methyl-, (17b)-
    • AKOS027378837
    • ESTRA-4,9-DIEN-3-ONE, 17.BETA.-HYDROXY-17-METHYL-
    • CHEBI:167840
    • J629.659I
    • UNII-1K4L979D9L
    • NS00018617
    • Estra-4,9-dien-3-one, 17beta-hydroxy-17-methyl-
    • Inchi: 1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,16-17,21H,3-10H2,1-2H3/t16-,17+,18+,19+/m1/s1
    • InChI Key: RDJBOAMEIJEKEY-XWSJACJDSA-N
    • SMILES: O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 286.19300
  • Monoisotopic Mass: 286.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 570
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.15±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 104-106 oC
  • Solubility: Insuluble (8.9E-3 g/L) (25 oC),
  • PSA: 37.30000
  • LogP: 3.94340

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