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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 17:34, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 443316711 of page 22-Dihydroergocalciferol 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 17:34, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 443316711 of page 22-Dihydroergocalciferol 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 443316711 of page 22-Dihydroergocalciferol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name (1S,3Z)-3--7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Other names (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-ergostatrien-3-ol
(24S)-Methylcalciol
22,23-Dihydroercalciol
Vitamin D4
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
PubChem CID
InChI
  • InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1Key: DIPPFEXMRDPFBK-JPWDPSJFSA-N
  • InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1Key: DIPPFEXMRDPFBK-JPWDPSJFBS
SMILES
  • O1CC(\C(=C)CC1)=C\C=C2/CCC3(2CC3(C)CC(C)C(C)C)C
Properties
Chemical formula C28H46O
Molar mass 398.66 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
  1. Nomenclature of Vitamin D, IUPAC