Cas no 5585-85-3 ((17beta)-17-hydroxy-17-methylandrosta-4,6-dien-3-one)

(17beta)-17-hydroxy-17-methylandrosta-4,6-dien-3-one structure
5585-85-3 structure
Product Name:(17beta)-17-hydroxy-17-methylandrosta-4,6-dien-3-one
CAS No:5585-85-3
MF:C20H28O2
MW:300.435126304626
CID:944613
PubChem ID:227054
Update Time:2025-04-19

(17beta)-17-hydroxy-17-methylandrosta-4,6-dien-3-one Chemical and Physical Properties

Names and Identifiers

    • (17beta)-17-hydroxy-17-methylandrosta-4,6-dien-3-one
    • 17α-Methyl-6,7-dehydrotestosterone
    • Androsta-4,6-dien-3-one, 17.β.-hydroxy-17-methyl-
    • 8-Isonorethynodrel
    • Norethinynodrel
    • Norethynodral
    • UNII-9TW7DI8JVM
    • 17.BETA.-HYDROXY-17-METHYLANDROST-4,6-DIEN-3-ONE
    • 5585-85-3
    • 17.ALPHA.-METHYL-6,7-DEHYDROTESTOSTERONE
    • WIN 13441
    • 17alpha-Methyl-17beta-hydroxy-4,6-androstadiene-3-one
    • Q27148993
    • ANDROSTA-4,6-DIEN-3-ONE,17.BETA.-HYDROXY-17-METHYL-
    • 17alpha-Methyl-17beta-hydroxyandrosta-4,6-dien-3-one
    • NSC18215
    • Androsta-4,6-dien-3-one, 17-hydroxy-17-methyl-, (17.beta.)-
    • CHEBI:79855
    • (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
    • 17beta-Hydroxy-17-methylandrost-4,6-dien-3-one
    • SCHEMBL11789347
    • 6,7-Dehydro methyltestosterone
    • NSC-18215
    • Testosterone, 6-dehydro-17-methyl-
    • Androsta-4,6-dien-3-one, 17-hydroxy-17-methyl-, (17beta)-
    • 17a-Methyl-6,7-dehydrotestosterone
    • 9TW7DI8JVM
    • DTXSID701023985
    • 6-DEHYDRO-17-METHYL-TESTOSTERONE
    • 17alpha-Methyl-6,7-dehydrotestosterone
    • Androsta-4,6-dien-3-one,17beta-hydroxy-17-methyl-
    • 17a-Methyl-6,7-dehydrotestosterone (1.0mg/ml in Acetonitrile)
    • 17.ALPHA.-METHYL-17.BETA.-HYDROXY-4,6-ANDROSTADIENE-3-ONE
    • Inchi： 1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4-5,12,15-17,22H,6-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
    • InChI Key： BRQAXEKVGOTNJM-HLXURNFRSA-N
    • SMILES： O[C@@]1(C)CC[C@H]2[C@@H]3C=CC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 300.20900
  • Monoisotopic Mass: 300.209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 589
  • 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: 2.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.12
  • Boiling Point: 450.4°C at 760 mmHg
  • Flash Point: 191.9°C
  • Refractive Index: 1.572
  • PSA: 37.30000
  • LogP: 4.04530

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