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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 20:05, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 470245369 of page Actinorhodin for the Chem/Drugbox validation project (updated: 'ChEBI', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 20:05, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 470245369 of page Actinorhodin for the Chem/Drugbox validation project (updated: 'ChEBI', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 470245369 of page Actinorhodin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name isochromen)-3-yl]acetic acid
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1Key: VTIKDEXOEJDMJP-WYUUTHIRSA-N
  • InChI=1/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1Key: VTIKDEXOEJDMJP-WYUUTHIRBL
SMILES
  • OC(=O)C5CC=6C(=O)c4c(O)cc(c3cc(O)c2C(=O)C=1C(CC(O)=O)O(C)C=1C(=O)c2c3O)c(O)c4C(=O)C=6(C)O5
Properties
Molar mass 634.54 g mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. "Actinorhodin (CHEBI:2448)". EBI Small Molecule Database. 18 February 2008. Retrieved 9 February 2010.