Cas no 2881-21-2 (Androstan-3-one,17-hydroxy-1,17-dimethyl-, (1a,5a,17b)-)

Androstan-3-one,17-hydroxy-1,17-dimethyl-, (1a,5a,17b)- structure
2881-21-2 structure
Product Name:Androstan-3-one,17-hydroxy-1,17-dimethyl-, (1a,5a,17b)-
CAS No:2881-21-2
MF:C21H34O2
MW:318.493466854095
CID:275459
PubChem ID:102347
Update Time:2025-04-19

Androstan-3-one,17-hydroxy-1,17-dimethyl-, (1a,5a,17b)- Chemical and Physical Properties

Names and Identifiers

    • Androstan-3-one,17-hydroxy-1,17-dimethyl-, (1a,5a,17b)-
    • 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-1.alpha.,17-dimethyl-
    • Androstan-3-one, 17-hydroxy-1,17-dimethyl-, (1.alpha.,5.alpha.,17.beta.)-
    • Dimethylandrostanolone
    • 9608F395XG
    • DTXSID90951451
    • (1S,5S,8R,9S,10S,13S,14S,17S)-17-HYDROXY-1,10,13,17-TETRAMETHYL-2,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-ONE
    • 2881-21-2
    • 5-Androstan-17-ol-3-one, 1alpha,17alpha-dimethyl-
    • 17-Hydroxy-1,17-dimethylandrostan-3-one
    • 1alpha,17alpha-Dimethyl-5-androstan-17-ol-3-one
    • Demalon
    • 5-ANDROSTAN-17-OL-3-ONE, 1.ALPHA.,17.ALPHA.-DIMETHYL-
    • (1.ALPHA.,5.ALPHA.,17.BETA.)-17-HYDROXY-1,17-DIMETHYLANDROSTAN-3-ONE
    • 17.BETA.-HYDROXY-1.ALPHA.,17-DIMETHYL-5.ALPHA.-ANDROSTAN-3-ONE
    • Dimethandrostanolone
    • J7.926J
    • (1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
    • SCHEMBL9542327
    • 1.ALPHA.,17.ALPHA.-DIMETHYL-5-ANDROSTAN-17-OL-3-ONE
    • Q27271834
    • UNII-9608F395XG
    • 17BETA-HYDROXY-1ALPHA,17-DIMETHYL-5ALPHA-ANDROSTAN-3-ONE
    • 1 alpha,17 alpha-dimethyl-5-androstan-17-ol-3-one
    • (1alpha,5alpha,17beta)-17-hydroxy-1,17-dimethylandrostan-3-one
    • Inchi： 1S/C21H34O2/c1-13-11-15(22)12-14-5-6-16-17-8-10-20(3,23)19(17,2)9-7-18(16)21(13,14)4/h13-14,16-18,23H,5-12H2,1-4H3/t13-,14-,16-,17-,18-,19-,20-,21-/m0/s1
    • InChI Key： XGTSZQUZTZMJGX-DQVGDZKQSA-N
    • SMILES： O[C@@]1(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)[C@@H](C)CC(C[C@@H]3CC[C@H]12)=O

Computed Properties

  • Exact Mass: 318.25602
  • Monoisotopic Mass: 318.256
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 528
  • 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: 4.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.04
  • Boiling Point: 423.8°C at 760 mmHg
  • Flash Point: 180.8°C
  • Refractive Index: 1.518
  • PSA: 37.3

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