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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:04, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 444091224 of page Rodiasine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:04, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 444091224 of page Rodiasine for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 444091224 of page Rodiasine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1Key: HIQZXOFBXJICTD-IHLOFXLRSA-N
  • InChI=1/C38H42N2O6/c1-39-13-11-24-19-33(43-4)34-21-26(24)29(39)17-22-7-9-31(41)27(15-22)28-16-23(8-10-32(28)42-3)18-30-36-25(12-14-40(30)2)20-35(44-5)37(45-6)38(36)46-34/h7-10,15-16,19-21,29-30,41H,11-14,17-18H2,1-6H3/t29-,30+/m1/s1Key: HIQZXOFBXJICTD-IHLOFXLRBV
SMILES
  • O(c1ccc5cc1c2c(O)ccc(c2)C7N(CCc6cc(OC)c(Oc3c4c(cc(OC)c3OC)CCN(C)4C5)cc67)C)C
Properties
Chemical formula C38H42N2O6
Molar mass 622.75 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound