Cas no 1649-30-5 (Androst-4-en-3-one, 12a-fluoro-11b,17b-dihydroxy- (7CI,8CI))

Androst-4-en-3-one, 12a-fluoro-11b,17b-dihydroxy- (7CI,8CI) structure
1649-30-5 structure
Product Name:Androst-4-en-3-one, 12a-fluoro-11b,17b-dihydroxy- (7CI,8CI)
CAS No:1649-30-5
MF:C19H27FO3
MW:322.414289712906
CID:219790
PubChem ID:243750
Update Time:2025-04-19

Androst-4-en-3-one, 12a-fluoro-11b,17b-dihydroxy- (7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • Androst-4-en-3-one, 12a-fluoro-11b,17b-dihydroxy- (7CI,8CI)
    • 12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
    • (8S,9S,10R,11R,12R,13S,14S,17S)-12-fluoro-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • ANDROST-4-EN-3-ONE, 12-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-
    • NSC53895
    • DTXSID60288044
    • 1649-30-5
    • XSW6U77DX9
    • ANDROST-4-EN-3-ONE, 12.ALPHA.-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-
    • NSC-53895
    • UNII-XSW6U77DX9
    • CHEBI:79682
    • Androst-4-en-3-one, 12alpha-fluoro-11beta,17beta-dihydroxy-
    • Q27148810
    • Androst-4-en-3-one, 12-fluoro-11beta,17beta-dihydroxy-
    • Inchi： 1S/C19H27FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h9,12-17,22-23H,3-8H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1
    • InChI Key： JKRMUSMTFMBPFM-HPLVRFQDSA-N
    • SMILES： F[C@H]1[C@@H]([C@@H]2[C@@]3(C)CCC(C=C3CC[C@H]2[C@@H]2CC[C@@H]([C@]21C)O)=O)O

Computed Properties

  • Exact Mass: 322.19451
  • Monoisotopic Mass: 322.19442288g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 573
  • 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: 2.2
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

Androst-4-en-3-one, 12a-fluoro-11b,17b-dihydroxy- (7CI,8CI) Related Literature

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