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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 17:55, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 464461804 of page Staphyloxanthin 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 17:55, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 464461804 of page Staphyloxanthin 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 464461804 of page Staphyloxanthin with values updated to verified values.
Staphyloxanthin
Chemical structure of staphyloxanthin
Names
IUPAC name [(2S,3R,4S,5S,6R)-3,4, 5-trihydroxy-6-oxymethyl]oxan-2-yl](2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C51H78O8/c1-10-39(4)25-16-14-12-11-13-15-17-33-44(36-52)51(9,35-23-32-43(8)49(57)59-50-48(56)47(55)46(54)45(37-53)58-50)34-19-18-26-40(5)28-21-30-42(7)31-22-29-41(6)27-20-24-38(2)3/h17-19,21-24,26,28-33,35-36,39,44-48,50,53-56H,10-16,20,25,27,34,37H2,1-9H3/b19-18+,28-21+,31-22+,33-17-,35-23+,40-26+,41-29+,42-30+,43-32+/t39?,44?,45-,46-,47+,48-,50-,51?/m1/s1Key: ZGBLADNGFNFPBV-OQMOJWPESA-N
  • InChI=1/C51H78O8/c1-10-39(4)25-16-14-12-11-13-15-17-33-44(36-52)51(9,35-23-32-43(8)49(57)59-50-48(56)47(55)46(54)45(37-53)58-50)34-19-18-26-40(5)28-21-30-42(7)31-22-29-41(6)27-20-24-38(2)3/h17-19,21-24,26,28-33,35-36,39,44-48,50,53-56H,10-16,20,25,27,34,37H2,1-9H3/b19-18+,28-21+,31-22+,33-17-,35-23+,40-26+,41-29+,42-30+,43-32+/t39?,44?,45-,46-,47+,48-,50-,51?/m1/s1Key: ZGBLADNGFNFPBV-OQMOJWPEBF
SMILES
  • O=C(O1O((O)(O)1O)CO)\C(=C\C=C\C(C)(C\C=C\C=C(\C=C\C=C(\C=C\C=C(/C)CC\C=C(/C)C)C)C)C(\C=C/CCCCCCCC(C)CC)C=O)C
Properties
Chemical formula C51H78O8
Molar mass 819.16 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