Cas no 13713-19-4 ((2alpha,5alpha,8xi,9xi,14xi,17beta)-2-methyl-3-oxoandrostan-17-yl hexanoate)

(2alpha,5alpha,8xi,9xi,14xi,17beta)-2-methyl-3-oxoandrostan-17-yl hexanoate structure
13713-19-4 structure
Product Name:(2alpha,5alpha,8xi,9xi,14xi,17beta)-2-methyl-3-oxoandrostan-17-yl hexanoate
CAS No:13713-19-4
MF:C26H42O3
MW:402.609888553619
CID:1241739
PubChem ID:155549
Update Time:2025-04-20

(2alpha,5alpha,8xi,9xi,14xi,17beta)-2-methyl-3-oxoandrostan-17-yl hexanoate Chemical and Physical Properties

Names and Identifiers

    • (2alpha,5alpha,8xi,9xi,14xi,17beta)-2-methyl-3-oxoandrostan-17-yl hexanoate
    • [(2R,5S,10S,13S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
    • 2-Methyl-17-((1-oxohexyl)oxy)androstan-3-one (2alpha,5alpha,17beta)-
    • 5alpha-Androstan-3-one, 17beta-hydroxy-2alpha-methyl-, hexanoate
    • 13713-19-4
    • Androstan-3-one, 2-methyl-17-((1-oxohexyl)oxy)-, (2alpha,5alpha,17beta)-
    • Dromostanolone hexanoate
    • Inchi: 1S/C26H42O3/c1-5-6-7-8-24(28)29-23-12-11-20-19-10-9-18-15-22(27)17(2)16-26(18,4)21(19)13-14-25(20,23)3/h17-21,23H,5-16H2,1-4H3/t17-,18+,19+,20+,21+,23+,25+,26+/m1/s1
    • InChI Key: XWJCZSVXJIFAAO-UZKCNQHNSA-N
    • SMILES: O(C(CCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C[C@@H](C)C(C[C@@H]3CC[C@H]12)=O

Computed Properties

  • Exact Mass: 402.31356
  • Monoisotopic Mass: 402.31339520g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 642
  • 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: 6.7
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
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