Cas no 82380-21-0 (Maesanin)

Maesanin structure
Maesanin structure
Product Name:Maesanin
CAS No:82380-21-0
MF:C22H34O4
MW:362.502967357636
CID:987725
PubChem ID:5384838
Update Time:2024-03-01

Maesanin Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)- , (Z)-
    • 2-hydroxy-5-methoxy-3-[(Z)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione
    • Maesanin
    • Synthetic Maesanin
    • NSC633676
    • Maesanin from Maesa Lanceolata
    • NSC367310
    • 82380-21-0
    • SCHEMBL5179329
    • CHEMBL14251
    • NSC-367310
    • AKOS040752913
    • NSC-633676
    • 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)-, (Z)-
    • Inchi: 1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6-
    • InChI Key: WVHQJXPRVZBEFP-SREVYHEPSA-N
    • SMILES: OC1C(C=C(C(C=1CCCCCCCCC/C=C\CCCC)=O)OC)=O

Computed Properties

  • Exact Mass: 362.24570956g/mol
  • Monoisotopic Mass: 362.24570956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 14
  • Complexity: 540
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6
  • XLogP3: 7
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