Cas no 79729-73-0 (1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl tetradecanoate)

1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl tetradecanoate structure
79729-73-0 structure
Product Name:1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl tetradecanoate
CAS No:79729-73-0
MF:C34H54O7
MW:574.788371562958
CID:984843
PubChem ID:433147
Update Time:2025-04-20

1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl tetradecanoate Chemical and Physical Properties

Names and Identifiers

    • 1,6,7-trihydroxy-15-oxo-7,20-epoxykaur-16-en-14-yl tetradecanoate
    • NSC324036
    • 79729-73-0
    • NSC-324036
    • DTXSID40330858
    • KT-8 (FROM KYOTO UNIVERSITY)
    • Inchi: 1S/C34H54O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(36)41-30-23-17-18-24-32-21-40-34(39,33(24,30)28(37)22(23)2)29(38)27(32)31(3,4)20-19-25(32)35/h23-25,27,29-30,35,38-39H,2,5-21H2,1,3-4H3
    • InChI Key: SBXZYACKWDPDSH-UHFFFAOYSA-N
    • SMILES: O1CC23C(CCC(C)(C)C2C(C1(C12C(C(=C)C(CCC31)C2OC(CCCCCCCCCCCCC)=O)=O)O)O)O

Computed Properties

  • Exact Mass: 574.38695406g/mol
  • Monoisotopic Mass: 574.38695406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 14
  • Complexity: 1010
  • 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: 6.9
  • Topological Polar Surface Area: 113?2
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