Cas no 10089-23-3 (Hetisan-2,11,13-triol,(2a,11a,13R)-)

Hetisan-2,11,13-triol,(2a,11a,13R)- structure
10089-23-3 structure
Product Name:Hetisan-2,11,13-triol,(2a,11a,13R)-
CAS No:10089-23-3
MF:C20H27NO3
MW:329.433285951614
CID:185441
PubChem ID:431673
Update Time:2025-04-19

Hetisan-2,11,13-triol,(2a,11a,13R)- Chemical and Physical Properties

Names and Identifiers

    • Hetisan-2,11,13-triol,(2a,11a,13R)-
    • HETISINE
    • 1H,4H,7H-6a,9-Ethano-5,7,10b-methenodibenz[cd,f]indole,hetisan-2,11,13-triol deriv.
    • Delatine
    • Hetisine(6CI,7CI,8CI)
    • NSC 295656
    • NSC-295656
    • 10089-23-3
    • NSC295656
    • DTXSID00905824
    • Hetisan-2,11,13-triol
    • Inchi: 1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3
    • InChI Key: PIWJSAMCEMZIDO-UHFFFAOYSA-N
    • SMILES: OC1C2C(=C)CC34CC5C6C7(C)CC(CC6(C31)C(C4C2O)N5C7)O

Computed Properties

  • Exact Mass: 329.199094g/mol
  • Monoisotopic Mass: 329.199094g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 709
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 329.4g/mol
  • XLogP3: 0.5
  • Topological Polar Surface Area: 63.9?2
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