(+)-Usnic acid | CAS No. 7562-61-0

(+)-Usnic acid

Basic Information

CAS Number

7562-61-0

Molecular Formula

C18H16O7

Molecular Weight

344.3 g/mol

AD

Basic Physical Properties

Physical State

Yellow powder

Melting Point

201-203 °C

Boiling Point

605.4°C at 760 mmHg

Density

1.2869 (rough estimate)

Water Solubility

Partly soluble in water. Soluble in acetone, ethanol, chloroform and furfural.

Flash Point

223.3 °C

Refractive Index

1.4790 (estimate)

Specific Rotation

488 º (c=0.4, CHCl3)

CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O

InChI

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/h5,21-23H,1-4H3/t18-/m1/s1

InChIKey

WEYVVCKOOFYHRW-GOSISDBHSA-N

LogP

2.1266200000000004

Topological Polar Surface Area

121.13000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

734

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • CHEBI:122
  • (S)-(-)-USNIC ACID
  • (9bR)-2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-one
  • (+)-Usniacin
  • BDBM50232841
  • SCHEMBL14029477
  • NCGC00017388-01
  • (+)-Usniacin (D-Usnic acid)
  • CCG-208150
  • d-Usnic acid
  • USNIC ACID, (S)-
  • NCGC00017388-02
  • (S)-Usnic acid
  • NCGC00017388-05
  • SMP1_000308
  • DTXSID001019955
  • (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one
  • NCGC00142542-02
  • 2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one
  • 7562-61-0
  • 1(9BH)-DIBENZOFURANONE, 2,6-DIACETYL-3,7,9-TRIHYDROXY-8,9B-DIMETHYL-, (9BS)-
  • SCHEMBL10076307
  • 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione
  • SW219509-1
  • Q27105250
  • (2R)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),3,6,9,11-pentaen-5-one
  • s2252
  • CCG-208515
  • CHEMBL461903
  • 882883-26-3
  • LMPK13060002

MDL Number

MFCD00016878

Customs Code

2917399090

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