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Names and Identifiers
  • Spiro[furan-3(2H),6'-[6H]naphtho[1,8-bc]furan]-2,2'(4'H)-dione,5-(3-furanyl)-4,5,5',5'a,7',8',8'a,8'b-octahydro-8'b-(hydroxymethyl)-7'-methylene-,(3S,5S,5'aS,8'aR,8'bR)- (9CI)
  • PLAUNOL B
  • (3S,5S,5'aS)-5-(3-Furyl)-4,5,5',5'aβ,7',8',8'aα,8'b-octahydro-8'bα-hydroxymethyl-7'-methylenespiro[furan-3(2H),6'-[6H]naphtho[1,8-bc]furan]-2,2'(4'H)-dione
  • Spiro[furan-3(2H),6'-[6H]naphtho[1,8-bc]furan]-2,2'(4'H)-dione,5-(3-furanyl)-4,5,5',5'a,7',8',8'a,8'b-octahydro-8'b-(hydroxym
  • DTXSID50989917
  • DTXSID50989917
  • NSC-324632
  • NSC-324632
  • 69749-00-4
  • 69749-00-4
  • 5'-(Furan-3-yl)-8b-(hydroxymethyl)-7-methylidene-5,5a,7,8,8a,8b-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2,2'(4H)-dione
  • 5'-(Furan-3-yl)-8b-(hydroxymethyl)-7-methylidene-5,5a,7,8,8a,8b-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2,2'(4H)-dione
  • NSC324632
  • NSC324632
  • (1R,5'S,8S,9S,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylidenespiro[2-oxatricyclo[6.3.1.04,12]dodec-4-ene-9,3'-oxolane]-2',3-dione
  • CHEBI:8265
  • C09166
  • Q27108019
  • Plaunol B
  • InChIKey:GQRWYOWPTLFVDK-UHFFFAOYSA-N
  • Inchi:InChI=1S/C20H20O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h3,5-6,9,14-16,21H,1-2,4,7-8,10H2
  • SMILES:C=C1CC2C3(C(C14CC(OC4=O)C5=COC=C5)CCC=C3C(=O)O2)CO
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 356.126
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 356.126
  • Heavy Atom Count: 26
  • Complexity: 726
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 1.6
  • Topological Polar Surface Area: 86Ų

Experimental Properties

  • LogP: 2.45440
  • PSA: 85.97
  • Refractive Index: 1.624
  • Boiling Point: 647°Cat760mmHg
  • Flash Point: 345.1°C
  • Density: 1.4
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