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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:25, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 470119050 of page Yamogenin for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:25, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 470119050 of page Yamogenin for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 470119050 of page Yamogenin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1Key: WQLVFSAGQJTQCK-CAKNJAFZSA-N
  • InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
  • Key: WQLVFSAGQJTQCK-CAKNJAFZSA-N
SMILES
  • C1CC2((3(O2)C43(CC54CC=C65(CC(C6)O)C)C)C)OC1
Properties
Chemical formula C27H42O3
Molar mass 414.62 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. CID 441900 from PubChem
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