Cas no 5454-55-7 (5a-Androstan-3-one, 11b,17b-dihydroxy-17-methyl- (6CI,7CI,8CI))

5a-Androstan-3-one, 11b,17b-dihydroxy-17-methyl- (6CI,7CI,8CI) structure
5454-55-7 structure
Product Name:5a-Androstan-3-one, 11b,17b-dihydroxy-17-methyl- (6CI,7CI,8CI)
CAS No:5454-55-7
MF:C20H32O3
MW:320.466286659241
CID:373799
PubChem ID:229407
Update Time:2025-04-19

5a-Androstan-3-one, 11b,17b-dihydroxy-17-methyl- (6CI,7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • 5a-Androstan-3-one, 11b,17b-dihydroxy-17-methyl- (6CI,7CI,8CI)
    • 11beta,17beta-Dihydroxy-17-methyl-5alpha-androstan-3-one
    • (5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
    • 5.α.-Androstan-3-one, 11.β.,17.β.-dihydroxy-17-methyl-
    • Q27148988
    • NSC23089
    • 11beta-Hydroxy-17-methyl dihydrotestosterone
    • 4,5-ALPHA-DIHYDRO-11-BETA-HYDROXY-17-METHYL-TESTOSTERONE
    • 5454-55-7
    • Testosterone,5.alpha.-dihydro-11.beta.-hydroxy-17-methyl-
    • U-6675
    • DTXSID00969769
    • Testosterone,4,5alpha-dihydro-11beta-hydroxy-17-methyl-
    • 11.BETA.-HYDROXY-17-METHYL DIHYDROTESTOSTERONE
    • 4,5-Dihydro-5alpha-11beta-hydroxy-17-methyltestosterone
    • U 6675
    • 4,5-DIHYDRO-5.ALPHA.-11.BETA.-HYDROXY-17-METHYLTESTOSTERONE
    • 5.alpha.-Androstan-3-one, 11.beta.,17.beta.-dihydroxy-17-methyl-
    • 11,17-Dihydroxy-17-methylandrostan-3-one
    • 4,5alpha-Dihydro-11beta-hydroxy-17-methyltestosterone
    • 5VHE45EQLT
    • 5alpha-Androstan-3-one, 11beta,17beta-dihydroxy-17-methyl-
    • TESTOSTERONE,4,5.ALPHA.-DIHYDRO-11.BETA.-HYDROXY-17-METHYL-
    • NSC-23089
    • 5.alpha.-Androstan-3-one,17.beta.-dihydroxy-17-methyl-
    • CHEBI:79851
    • UNII-5VHE45EQLT
    • Inchi： 1S/C20H32O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-17,22-23H,4-11H2,1-3H3/t12-,14-,15-,16-,17+,18-,19-,20-/m0/s1
    • InChI Key： RNPQQCQDRWIESD-CGAVUXQXSA-N
    • SMILES： O[C@@]1(C)CC[C@@H]2[C@]1(C)C[C@@H]([C@@H]1[C@@]3(C)CCC(C[C@@H]3CC[C@@H]21)=O)O

Computed Properties

  • Exact Mass: 320.23526
  • Monoisotopic Mass: 320.235
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 531
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.132
  • Boiling Point: 455.7°Cat760mmHg
  • Flash Point: 243.5°C
  • Refractive Index: 1.546
  • PSA: 57.53
  • LogP: 3.32000

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