Cas no 37-82-1 (Androstanetrione(9CI))

Androstanetrione(9CI) structure
Androstanetrione(9CI) structure
Product Name:Androstanetrione(9CI)
CAS No:37-82-1
MF:C19H26O3
MW:302.407946109772
CID:315617
PubChem ID:71361406
Update Time:2025-04-19

Androstanetrione(9CI) Chemical and Physical Properties

Names and Identifiers

    • Androstanetrione(9CI)
    • Cetrimide Agar Medium Base
    • 1660ID-6
    • IRB 1660ID-6
    • Bacillus Expression Systems
    • 37-82-1
    • Androstane-15,16,17-trione
    • androstanetrione
    • DTXSID20958170
    • Inchi: 1S/C19H26O3/c1-18-9-4-3-5-11(18)6-7-12-13(18)8-10-19(2)14(12)15(20)16(21)17(19)22/h11-14H,3-10H2,1-2H3/t11?,12-,13+,14-,18+,19+/m1/s1
    • InChI Key: DNSCRVQKTDUSRG-PDLKIONWSA-N
    • SMILES: O=C1C(C([C@@]2(C)CC[C@H]3[C@@H](CCC4CCCC[C@]34C)[C@@H]21)=O)=O

Computed Properties

  • Exact Mass: 338.117939
  • Monoisotopic Mass: 338.117939
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 379
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 84.8
  • XLogP3: 4.4
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