Cas no 18529-67-4 (Androstan-3-one,7,17-dihydroxy-, (5a,7a,17b)- (9CI))

Androstan-3-one,7,17-dihydroxy-, (5a,7a,17b)- (9CI) structure
18529-67-4 structure
Product Name:Androstan-3-one,7,17-dihydroxy-, (5a,7a,17b)- (9CI)
CAS No:18529-67-4
MF:C19H30O3
MW:306.439706325531
CID:141868
PubChem ID:167728
Update Time:2025-04-19

Androstan-3-one,7,17-dihydroxy-, (5a,7a,17b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Androstan-3-one,7,17-dihydroxy-, (5a,7a,17b)- (9CI)
    • 7-hydroxydihydrotestosterone
    • (5alpha,7alpha,17beta)-7,17-dihydroxyandrostan-3-one
    • 7alpha,17beta-Dihydroxy-5alpha-androstan-3-one
    • 7-Hydroxy-dihydrotestosterone
    • Androstan-3-one, 7,17-dihydroxy-, (5alpha,7alpha,17beta)-
    • 18529-67-4
    • 7,17-Dihydroxyandrostan-3-one
    • DTXSID10939953
    • (5S,7R,8R,9S,10S,13S,14S,17S)-7,17-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    • Inchi： 1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h11,13-17,21-22H,3-10H2,1-2H3/t11-,13+,14+,15-,16+,17+,18+,19+/m1/s1
    • InChI Key： AYOPWAMPNDGXSM-DJHVUUHHSA-N
    • SMILES： O[C@@H]1C[C@H]2CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]21)O)=O

Computed Properties

  • Exact Mass: 306.2196
  • Monoisotopic Mass: 306.219495
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 489
  • 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: 2.3
  • Topological Polar Surface Area: 57.5

Experimental Properties

  • Density: 1.158
  • Boiling Point: 454.7°C at 760 mmHg
  • Flash Point: 242.9°C
  • Refractive Index: 1.556
  • PSA: 57.53

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