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Triptoquinone H | 268541-23-7

Product name:Triptoquinone H

CAS No:268541-23-7
MF:C20H26O3
MW:314.42
CID:5145702
PubChem ID:101062652
Names and Identifiers
  • Triptoquinone H
  • 268541-23-7
  • 268541-23-7
  • CHEBI:132354
  • CHEBI:132354
  • DTXSID401317153
  • DTXSID401317153
  • CS-0892191
  • CS-0892191
  • HY-156089
  • HY-156089
  • (+)-Triptoquinone H
  • triptoquinone H
  • InChIKey:JRDCNBZYYIEMRB-YWZLYKJASA-N
  • Inchi:1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1
  • SMILES:C1CC(=O)C(C)(C)[C@]2([H])CCC3C(=O)C(C(C)C)=CC(=O)C=3[C@@]12C
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 314.18819469g/mol
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 314.18819469g/mol
  • Heavy Atom Count: 23
  • Complexity: 675
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 3.4
  • Topological Polar Surface Area: 51.2Ų
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