Cas no 32381-03-6 ((5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid)

(5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid structure
32381-03-6 structure
Product Name:(5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid
CAS No:32381-03-6
MF:C25H36O4
MW:400.550948143005
CID:1451637
PubChem ID:6442665
Update Time:2025-04-20

(5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid Chemical and Physical Properties

Names and Identifiers

    • (5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid
    • Angeloylgrandifloric acid
    • SCHEMBL15941719
    • 15alpha-Hydoxy-(-)-kaur-16-en-19-oic acid angelate
    • 32381-03-6
    • Inchi： 1S/C25H36O4/c1-6-15(2)21(26)29-20-16(3)17-8-9-19-23(4)11-7-12-24(5,22(27)28)18(23)10-13-25(19,20)14-17/h6,17-20H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18-,19-,20-,23+,24+,25?/m0/s1
    • InChI Key： BJWJSOYJPSJWKC-KGEZFPFJSA-N
    • SMILES： O(C(/C(=C\C)/C)=O)[C@H]1C(=C)[C@H]2CC[C@H]3[C@]4(C)CCC[C@](C(=O)O)(C)[C@H]4CCC31C2

Computed Properties

  • Exact Mass: 400.26135963g/mol
  • Monoisotopic Mass: 400.26135963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 782
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.7
  • Topological Polar Surface Area: 63.6?2

(5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid Related Literature

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32381-03-6 ((5beta,9beta,10alpha,13alpha,15alpha)-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid) Related Products

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