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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:46, 10 January 2012 (Saving copy of the {{drugbox}} taken from revid 465807331 of page Torreyanic_acid for the Chem/Drugbox validation project (updated: 'CAS_number').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:46, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 465807331 of page Torreyanic_acid for the Chem/Drugbox validation project (updated: 'CAS_number').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{drugbox}}) taken from revid 465807331 of page Torreyanic_acid with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
ATC code
  • none
Identifiers
IUPAC name
  • (2E,2'E)-4,4'-benzoxirenoisochromene-7a,11a(5H,11H)-diyl]bis(2-met hylbut-2-enoic acid)
ChemSpider
Chemical and physical data
FormulaC38H44O12
Molar mass692.7488 g/mol g·mol
3D model (JSmol)
SMILES
  • O2\C=C/4(O)1O1(CO)42O3O((O)(O)3O)CO
InChI
  • InChI=1S/C38H44O12/c1-5-7-9-11-21-23-24-25(28(40)32-36(49-32,29(24)41)15-13-18(3)33(42)43)30(48-21)38-20(17-47-22(26(23)38)12-10-8-6-2)27(39)31-37(50-31,35(38)46)16-14-19(4)34(44)45/h13-14,17,21-23,26,30-32H,5-12,15-16H2,1-4H3,(H,42,43)(H,44,45)/b18-13+,19-14+/t21?,22-,23?,26+,30?,31+,32+,36-,37+,38-/m1/s1
  • Key:DQBVXDMPCDAQGS-YOWCJFHESA-N
  (what is this?)  (verify)