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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 411565925 of page Betamethasone_17-valerate for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', 'CASNo').). 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 411565925 of page Betamethasone_17-valerate for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 411565925 of page Betamethasone_17-valerate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name phenanthren-17-yl] pentanoate
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1Key: SNHRLVCMMWUAJD-SUYDQAKGSA-N
  • InChI=1/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1Key: SNHRLVCMMWUAJD-SUYDQAKGBY
SMILES
  • O=C(O3(C(=O)CO)2(C(O)4(F)/1(\C(=C/C(=O)\C=C\1)CC42C3C)C)C)CCCC
Properties
Chemical formula C27H37FO6
Molar mass 476.58 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Tracking categories (test):
Chemical compound