Cas no 88418-47-7 (Marchantin C)

Marchantin C structure
Marchantin C structure
Product Name:Marchantin C
CAS No:88418-47-7
MF:C28H24O4
MW:424.487768173218
CID:730043
Update Time:2024-03-01

Marchantin C Chemical and Physical Properties

Names and Identifiers

    • 15,18-Etheno-2,6:9,13-dimetheno-1,14-benzodioxacyclodocosin-12,24-diol,7,8,19,20-tetrahydro-
    • Marchantin C
    • Inchi: 1S/C28H24O4/c29-25-16-12-21-8-7-20-3-1-5-24(17-20)32-28-22(4-2-6-26(28)30)13-9-19-10-14-23(15-11-19)31-27(25)18-21/h1-6,10-12,14-18,29-30H,7-9,13H2
    • InChI Key: BLRFPCOIKKIKNC-UHFFFAOYSA-N
    • SMILES: O1C2=CC=CC(=C2)CCC2C=CC(=C(C=2)OC2C=CC(=CC=2)CCC2C=CC=C(C1=2)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 0
  • Complexity: 574
  • Topological Polar Surface Area: 58.9
  • XLogP3: 3.731
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