Cas no 51670-40-7 (kadsurin)

kadsurin structure
kadsurin structure
Product Name:kadsurin
CAS No:51670-40-7
MF:C25H30O8
MW:458.500908374786
CID:935685
Update Time:2025-04-19

kadsurin Chemical and Physical Properties

Names and Identifiers

    • kadsurin
    • Ananolignan A
    • Inchi: 1S/C25H30O8/c1-12-8-15-9-17(27-4)22(28-5)24(29-6)19(15)20-16(21(13(12)2)33-14(3)26)10-18-23(25(20)30-7)32-11-31-18/h9-10,12-13,21H,8,11H2,1-7H3/t12-,13-,21-/m1/s1
    • InChI Key: QUGMSTJBNZWXQS-SQHYZVFZSA-N
    • SMILES: O(C(C)=O)[C@H]1C2C=C3C(=C(C=2C2C(=C(C(=CC=2C[C@@H](C)[C@H]1C)OC)OC)OC)OC)OCO3

Computed Properties

  • Exact Mass: 458.19400
  • Monoisotopic Mass: 458.19406791 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 673
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 458.5
  • XLogP3: 4.6
  • Topological Polar Surface Area: 81.7?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 81.68000
  • LogP: 4.54920

kadsurin Pricemore >>

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