Cas no 23885-43-0 (Zapoterin)

Zapoterin structure
Zapoterin structure
Product Name:Zapoterin
CAS No:23885-43-0
MF:C26H30O8
MW:470.51200
CID:1415716
PubChem ID:441812
Update Time:2024-10-30

Zapoterin Chemical and Physical Properties

Names and Identifiers

    • Zapoterin
    • [ "" ]
    • C08788
    • Q27108585
    • 23885-43-0
    • CHEBI:10105
    • 35796-71-5
    • FS-9795
    • DTXSID50331634
    • AKOS040763040
    • 11alpha-Hydroxyobacunoic acid 3,4-lactone
    • AC1L9BPG
    • 11
    • (1R,2R,4S,7S,8S,10S,11R,12R,18R)-7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
    • A-Hydroxyobacunoic acid 3,4-lactone
    • CHEMBL3235617
    • (1R, 2R, 4S, 7S, 8S, 10S, 11R, 12R, 18R)-7-(furan-3-yl)-10-hydroxy-1, 8, 12, 17, 17-pentamethyl-3, 6, 16-trioxapentacyclo[9.9.0.02, 4.02, 8.012, 18]icos-13-ene-5, 15, 20-trione
    • Inchi: 1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15-,18+,19-,20+,23-,24-,25+,26+/m0/s1
    • InChI Key: OZGKITZRRFNYRV-CHALWBKJSA-N
    • SMILES: O1[C@]2([H])C(=O)O[C@@]([H])(C3=C([H])OC([H])=C3[H])[C@]3(C([H])([H])[H])C([H])([H])[C@@]([H])([C@]4([H])[C@]5(C([H])=C([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([C@@]4(C([H])([H])[H])[C@]132)=O)C([H])([H])[H])O[H]

Computed Properties

  • Exact Mass: 470.19406791g/mol
  • Monoisotopic Mass: 470.19406791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 116
  • XLogP3: 2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 346.8±17.0 °C at 760 mmHg
  • Flash Point: 167.6±27.4 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Zapoterin Security Information

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