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CHEBI:176207 - Cycloartanyl ferulate

Default Structure
ChEBI IDCHEBI:176207
ChEBI NameCycloartanyl ferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H60O4
Net Charge0
Average Mass604.916
Monoisotopic Mass604.44916
SMILESCOc1cc(/C=C/C(=O)OC2CCC34CC35CCC3(C)C(C(C)CCCC(C)C)CCC3(C)C5CCC4C2(C)C)ccc1O
InChIInChI=1S/C40H60O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h12-14,17,24,26-27,29,32-34,41H,9-11,15-16,18-23,25H2,1-8H3/b17-13+
InChIKeyMFIVAYYVKCBONU-GHRIWEEISA-N
ChEBI Ontology
Outgoing Relation(s)
Cycloartanyl ferulate (CHEBI:176207) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
74886448ChemSpider
HMDB0036295HMDB