Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:42, 16 February 2012 (Saving copy of the {{drugbox}} taken from revid 461357800 of page 7-PET 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 18:42, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 461357800 of page 7-PET 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 461357800 of page 7-PET with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
File:7-PET structure.png
IUPAC name 7-endoethenotetrahydrothebaine
PubChem CID	203125
ChemSpider	21106246
Chemical and physical data
Formula	C₃₁H₃₉NO₄
Molar mass	487.64 g/mol g·mol
3D model (JSmol)	Interactive image
SMILES CN5CCC16c4c2OC1C3(OC)C=CC6(C5Cc4ccc2OC)CC3C(O)(C)CCc7ccccc7
InChI InChI=1S/C31H39NO4/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30/h5-11,23-24,27,33H,12-19H2,1-4H3/t23?,24-,27?,28?,29-,30+,31-/m1/s1 Key:CSZMZMPPNJFGRW-TZBHJBKBSA-N
(verify)