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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 10:46, 9 April 2012 (Saving copy of the {{chembox}} taken from revid 465152556 of page Betaenone_C for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 10:46, 9 April 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 465152556 of page Betaenone_C for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 465152556 of page Betaenone_C with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name (2S,3R,4R,4aS,5R,7R,8aS)-3--2,7-dihydroxy-4--2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one
Identifiers
3D model (JSmol)
ChemSpider
InChI
  • InChI=1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1Key: YRYPVWAJOMXOHH-ITBWMFDCSA-N
  • InChI=1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1Key: YRYPVWAJOMXOHH-ITBWMFDCSA-N
SMILES
  • CC2CC(C)(O)CC(C(=O)C1(C)O)C2C(C)(C(=O)\C=C/O)C1C(C)CC
Properties
Chemical formula C21H34O5
Molar mass 366.498 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound
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