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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 11:02, 21 November 2011 (Saving copy of the {{drugbox}} taken from revid 461498364 of page A23187 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 11:02, 21 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 461498364 of page A23187 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 ({{drugbox}}) taken from revid 461498364 of page A23187 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • 5-(methylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8--1,7-dioxaspiroundec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid
CAS Number
PubChem CID
ChemSpider
Chemical and physical data
FormulaC29H37N3O6
Molar mass523.62 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(O)c1c(NC)ccc2oc(nc12)C5O3(O((C)C3C)(C(=O)c4cccn4)C)CC5C
InChI
  • InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
  • Key:HIYAVKIYRIFSCZ-CYEMHPAKSA-N
  (verify)