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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 15:39, 17 November 2011 (Saving copy of the {{chembox}} taken from revid 443840294 of page Glycocholic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 15:39, 17 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 443840294 of page Glycocholic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 443840294 of page Glycocholic_acid with values updated to verified values.
Glycocholic acid
Glycocholic acid
Names
IUPAC name Glycocholic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1Key: RFDAIACWWDREDC-FRVQLJSFSA-N
  • InChI=1/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1Key: RFDAIACWWDREDC-FRVQLJSFBG
SMILES
  • C(CCC(=O)NCC(=O)O)1CC21((C32(C43(CC(C4)O)C)O)O)C
Properties
Chemical formula C26H43NO6
Molar mass 465.631 g/mol
Melting point 130 °C
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