Cas no 6159-66-6 ((2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one)

(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one structure
6159-66-6 structure
Product Name:(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one
CAS No:6159-66-6
MF:C18H16O7
MW:344.315445899963
CID:516900
PubChem ID:478125
Update Time:2025-04-19

(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one Chemical and Physical Properties

Names and Identifiers

    • 1,3(2H,9bH)-Dibenzofurandione,2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bS)-
    • (9bR)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
    • (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one
    • (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-(2H,9bH)-dibenzofuran-1,3-dione
    • NSC 5889
    • Usnic acid, (-)-
    • (2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one
    • BRD-A99182808-001-01-7
    • 6159-66-6
    • UNII-5HYW08F205
    • (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione
    • SCHEMBL9982861
    • 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bS)-
    • (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
    • CHEBI:125464
    • EINECS 228-181-3
    • NSC149788
    • NS00120834
    • Q27216083
    • Inchi： 1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m1/s1
    • InChI Key： CUCUKLJLRRAKFN-KKIBXBACSA-N
    • SMILES： O1C2C(C(C)=O)=C(C(C)=C(C=2[C@]2(C)C(C(C(C)=O)C(C=C12)=O)=O)O)O

Computed Properties

  • Exact Mass: 344.08958
  • Monoisotopic Mass: 344.089603
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 734
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 121
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.49
  • Boiling Point: 594.8°C at 760 mmHg
  • Flash Point: 219.1°C
  • Refractive Index: 1.643
  • PSA: 117.97
  • LogP: 2.12660

(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one Pricemore >>

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(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),3,6,10,12-pentaen-5-one
 6159-66-6 95.0%
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(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),3,6,10,12-pentaen-5-one
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EN300-18532942-1.0g
(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),3,6,10,12-pentaen-5-one
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1PlusChem
1P00EAS3-1g
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 6159-66-6 95%
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 $83.00 2024-04-22
1PlusChem
1P00EAS3-2.5g
(-)-USNIC ACID
 6159-66-6 95%
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 $84.00 2024-04-22

(2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one Related Literature

Related Categories

6159-66-6 ((2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo7.4.0.0,2,7trideca-1(9),3,6,10,12-pentaen-5-one) Related Products

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