Cas no 481-05-0 (3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione)

3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione structure
481-05-0 structure
Product Name:3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione
CAS No:481-05-0
MF:C15H18O4
MW:262.301024913788
CID:37674
PubChem ID:65030
Update Time:2025-04-18

3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione Chemical and Physical Properties

Names and Identifiers

    • 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione
    • artemisin
    • (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
    • (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9,9b-tetramethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • NS00093648
    • SCHEMBL83537
    • Y1R67R7XWU
    • 481-05-0
    • C09344
    • 3a,5,5a,9b-Tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • CHEMBL158124
    • (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
    • Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,4alpha,5abeta,9bbeta))-
    • 4-HYDROXYSANTONIN [MI]
    • DTXSID80877833
    • UNII-Y1R67R7XWU
    • Q27105849
    • ARTEMISIN [MI]
    • SRI-2813
    • CHEBI:2852
    • (-)-Artemisin
    • [3S-(3alpha,3aalpha,4alpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • 8-Hydroxysantonin
    • Inchi： 1S/C15H18O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h4-5,8,10-11,13,17H,6H2,1-3H3/t8-,10-,11+,13-,15+/m0/s1
    • InChI Key： LUHMMHZLDLBAKX-DBIGVJDZSA-N
    • SMILES： O1C([C@@H](C)[C@@H]2[C@H](C[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)O)=O

Computed Properties

  • Exact Mass: 262.12054
  • Monoisotopic Mass: 262.120509
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 530
  • 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
  • Topological Polar Surface Area: 63.6
  • XLogP3: 1.1

Experimental Properties

  • Density: 1.26
  • Melting Point: 203°
  • Boiling Point: bp0.1 260°
  • Flash Point: 178.8°C
  • Refractive Index: 1.567
  • PSA: 63.6
  • LogP: 1.39040
  • Specific Rotation: D23 -84.9° (c = 3 in 95% ethanol)

3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione Security Information

  • Hazardous Material transportation number：2811
  • HazardClass：6.1(a)
  • PackingGroup：II

3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8-dione Related Literature

Related Categories

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