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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:45, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 444133032 of page Tautomycin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 18:45, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 444133032 of page Tautomycin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 444133032 of page Tautomycin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name -1,7-dioxaspiroundecan-2-yl]-3,7-dihydroxy-1-isopropyl-2-methoxy-6-methyl-5-oxo-undecyl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-3-furyl)propanoate
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1Key: RFCWHQNNCOJYTR-IRCAEPKSSA-N
  • InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
  • InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1Key: RFCWHQNNCOJYTR-IRCAEPKSSA-N
SMILES
  • O=C\1OC(=O)/C(=C/1C)(O)CC(=O)O(C(C)C)(OC)(O)CC(=O)(C)(O)CC(3O2(O((C)CC2)CC(C(=O)C)C)CC3C)C
Properties
Chemical formula C41H66O13
Molar mass 766.95
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound