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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:43, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 460123312 of page Satratoxin-H 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 13:43, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 460123312 of page Satratoxin-H 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 460123312 of page Satratoxin-H with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name (2'R,4E,9R,10E,12Z,16R,16aS,18R,19aR,23aR,25R)-6,7,16,16a,19a,22-

hexahydro-25-hydroxy-9-((1S)-1-hydroxyethyl)-16a,21-dimethyl-spiro(5,9,16,18-dimethano- 1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-17(18H)-2'-oxirane)-

3,14(9H)-dione
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13+/t18-,20+,21+,22+,25+,26+,27+,28+,29+/m0/s1Key: MUACSCLQRGEGOE-PQGPUMQGSA-N
  • InChI=1/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13+/t18-,20+,21+,22+,25+,26+,27+,28+,29+/m0/s1Key: MUACSCLQRGEGOE-PQGPUMQGBS
SMILES
  • C(O)12\C=C\C=C/C(=O)O4C6O3/C=C(/C)CC3(COC(=O)/C=C(\CCO1)2O)4(C)56CO5
Properties
Chemical formula C29H36O9
Molar mass 528.591
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
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