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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:02, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 402878632 of page Vitamin_D5 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 16:02, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 402878632 of page Vitamin_D5 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 402878632 of page Vitamin_D5 with values updated to verified values.
Vitamin D5
File:VitaminD5 structure.png
Names
IUPAC name (1S,3Z)-3--7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23+,26+,27-,28+,29-/m1/s1Key: RMDJVOZETBHEAR-GHTRHTQZSA-N
  • InChI=1/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23+,26+,27-,28+,29-/m1/s1Key: RMDJVOZETBHEAR-GHTRHTQZBN
SMILES
  • O1CC(\C(=C)CC1)=C\C=C2/CCC3(2CC3(C)CC(CC)C(C)C)C
Properties
Chemical formula C29H48O
Molar mass 412.69082
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Chemical compound
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