Cas no 16838-87-2 (Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)-)

Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)- structure
16838-87-2 structure
Product Name:Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)-
CAS No:16838-87-2
MF:C15H18O3
MW:246.301624774933
CID:185096
PubChem ID:72646
Update Time:2025-04-19

Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)- Chemical and Physical Properties

Names and Identifiers

    • Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)-
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
    • zaluzanin C
    • (3AS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one
    • AC1L2IEQ
    • AC1Q69JE
    • CHEBI:10103
    • CHEMBL462318
    • CTK4D2976
    • KST-1A1980
    • NSC177851
    • zaluzanin-C
    • (3aβ,6aβ,9aβ,9bα)-3,6,9-Trismethylene-8α-hydroxydodecahydroazuleno[4,5-b]furan-2-one
    • NSC 177851
    • 3beta-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide
    • 3beta,6alpha-Dihydroxy-1beta-guaia-4(15),10(14),11(13)-trien-12-oic acid, gamma-lactone
    • C09606
    • DTXSID40168557
    • 16838-87-2
    • Q27108584
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
    • Compound NP-015291
    • CHEMBL1988754
    • AKOS040738775
    • 8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
    • NSC-177851
    • SCHEMBL24453721
    • 3-3-Epizaluzanin C
    • Inchi： 1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1
    • InChI Key： XFVLNEYIZGZDHP-PEDHHIEDSA-N
    • SMILES： O1C(C(=C)[C@@H]2CCC(=C)[C@@H]3C[C@@H](C(=C)[C@@H]3[C@@H]12)O)=O

Computed Properties

  • Exact Mass: 246.12564
  • Monoisotopic Mass: 246.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 462
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
  • LogP: 1.98740

Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)- Related Literature

Related Categories

16838-87-2 (Azuleno[4,5-b]furan-2(3H)-one,decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)-) Related Products

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