Cas no 38965-27-4 (Androst-4-en-3-one,17-(3,3-dimethyl-1-oxobutoxy)-, (17b)- (9CI))

Androst-4-en-3-one,17-(3,3-dimethyl-1-oxobutoxy)-, (17b)- (9CI) structure
38965-27-4 structure
Product Name:Androst-4-en-3-one,17-(3,3-dimethyl-1-oxobutoxy)-, (17b)- (9CI)
CAS No:38965-27-4
MF:C25H38O3
MW:386.56742811203
CID:318529
PubChem ID:56842614
Update Time:2025-04-19

Androst-4-en-3-one,17-(3,3-dimethyl-1-oxobutoxy)-, (17b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Androst-4-en-3-one,17-(3,3-dimethyl-1-oxobutoxy)-, (17b)- (9CI)
    • [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3,3-dimethylbutanoate
    • 17beta-Hydroxyandrost-4-en-3-one 3,3-dimethylbutyrate
    • 38965-27-4
    • DTXSID00192257
    • EINECS 254-224-0
    • NS00030495
    • Inchi： 1S/C25H38O3/c1-23(2,3)15-22(27)28-21-9-8-19-18-7-6-16-14-17(26)10-12-24(16,4)20(18)11-13-25(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21-,24-,25-/m0/s1
    • InChI Key： LVMDQTKLLVECJT-FYVXYBBASA-N
    • SMILES： O(C(CC(C)(C)C)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 386.28209507g/mol
  • Monoisotopic Mass: 386.28209507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 699
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 483.3°C at 760 mmHg
  • Flash Point: 206°C
  • Refractive Index: 1.529

Androst-4-en-3-one,17-(3,3-dimethyl-1-oxobutoxy)-, (17b)- (9CI) Related Literature

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