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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 15:53, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 464978773 of page Veratridine 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 15:53, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 464978773 of page Veratridine 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 464978773 of page Veratridine with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
Other names Veratrine
3-Veratroylveracevine
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
IUPHAR/BPS
PubChem CID
InChI
  • InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1Key: FVECELJHCSPHKY-XHAQNIINSA-N
  • InChI=1/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28?,30-,31+,32+,33+,34+,35-,36-/m0/s1Key: FVECELJHCSPHKY-XHAQNIINBL
SMILES
  • COc1ccc(cc1OC)C(=O)OC6CC8(C)C7CC38(C4(O)5CN2C(C)CC2(C)(O)5(O)(O)C34O)O67O
Properties
Chemical formula C36H51NO11
Molar mass 673.79 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