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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:16, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 456818620 of page Quassin 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 12:16, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 456818620 of page Quassin 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 456818620 of page Quassin with values updated to verified values.
Quassin
(+)-Quassin
Names
IUPAC name 2,12-dimethoxypicrasa-2,12-diene-1,11,16-trione
Other names (3aS,6aR,7aS,8S,11aS,11bS,11cS) -1,3a,4,5,6a,7,7a,8,11,11a,11b,11c-dodecahydro-2,10-dimethoxy-3,8,11a,11c- tetramethyldibenzochromene-1,5,11-trione
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
EC Number
  • 200-985-9
PubChem CID
InChI
  • InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1= Key: IOSXSVZRTUWBHC-LBTVDEKVSA-N=
  • Key: IOSXSVZRTUWBHC-LBTVDEKVBB
  • InChI=1/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1Key: IOSXSVZRTUWBHC-LBTVDEKVBB
SMILES
  • O=C1C(\OC)=C/(C)41(3C(=O)C(\OC)=C(/2CC(=O)O(23C)C4)C)C
Properties
Chemical formula C22H28O6
Molar mass 388.460 g·mol
Appearance White crystalline substance
Melting point 200-222 °C
Boiling point 586 °C
Solubility in water Insoluble
Vapor pressure 13 mmHg (@25 °C)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound