Cas no 81078-03-7 (KT-4 (From kyoto university))

KT-4 (From kyoto university) structure
KT-4 (From kyoto university) structure
Product Name:KT-4 (From kyoto university)
CAS No:81078-03-7
MF:C24H34O7
MW:434.522568225861
CID:986354
PubChem ID:433143
Update Time:2025-04-20

KT-4 (From kyoto university) Chemical and Physical Properties

Names and Identifiers

    • 14-O-butanoyl oridonin
    • NSC324032
    • KT-4 (FROM KYOTO UNIVERSITY)
    • DTXSID00330854
    • 81078-03-7
    • NSC-324032
    • KT-4 (From kyoto university)
    • Inchi: 1S/C24H34O7/c1-5-6-16(26)31-20-13-7-8-14-22-11-30-24(29,23(14,20)18(27)12(13)2)19(28)17(22)21(3,4)10-9-15(22)25/h13-15,17,19-20,25,28-29H,2,5-11H2,1,3-4H3
    • InChI Key: RKUPFVMSZKZXKT-UHFFFAOYSA-N
    • SMILES: O1CC23C(CCC(C)(C)C2C(C1(C12C(C(=C)C(CCC31)C2OC(CCC)=O)=O)O)O)O

Computed Properties

  • Exact Mass: 434.23045342g/mol
  • Monoisotopic Mass: 434.23045342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 4
  • Complexity: 851
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 113?2
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