Usnic acid

C₁₈H₁₆O₇CAS 125-46-2344.32 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Phenol

Properties

Molecular formula: C₁₈H₁₆O₇
Molar mass: 344.32 g/mol
Exact mass: 344.0896 Da
Melting point: 204 °C
logP: 1.50Crippen estimate
Polar surface area: 118.0 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed70.2% of notifiers
H302 Harmful if swallowed29.8% of notifiers
H400 Very toxic to aquatic life70.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects70.2% of notifiers

Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P301+P317, P321, P330, P391, P405, P501

Identifiers

CAS number

125-46-2

SMILES

CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C

InChIKey

CUCUKLJLRRAKFN-UHFFFAOYSA-N

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/h5,11,22-23H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-
2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione
Usno
Usnein
Usniacin
(±)-Usnic acid
NSC 8517
2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione

Work with Usnic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-Usnic acid7562-61-0Defined stereoisomer

Same formula

Nevadensin152743-19-6 Eupatilin22368-21-4 Pachypodol33708-72-4 Obtusin70588-05-5 Eupatorin855-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia