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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 11:30, 20 February 2012 (Saving copy of the {{chembox}} taken from revid 476798046 of page Usnic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 11:30, 20 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 476798046 of page Usnic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 476798046 of page Usnic_acid with values updated to verified values.
Usnic acid
Chemical structure of usnic acid
Names
IUPAC names 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-1,3(2H,9bh)
-dibenzofurandione
Other names usneine, usninic acid, usniacin
Identifiers
CAS Number
  • 125-46-2
3D model (JSmol)
ChemSpider
PubChem CID
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,1-4H3Key: CUCUKLJLRRAKFN-UHFFFAOYSA-N
  • InChI=1/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,1-4H3Key: CUCUKLJLRRAKFN-UHFFFAOYAS
SMILES
  • CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O
Properties
Chemical formula C18H16O7
Molar mass 344.315 g/mol
Melting point 204 °C
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound
  1. Michael Ash; Irene Ash (2004). Handbook of preservatives. Synapse Info Resources. p. 5856. ISBN 9781890595661. Retrieved 5 August 2010.