CHEBI:142810 - 3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester

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ChEBI Name 3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
ChEBI ID CHEBI:142810
Definition Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C26H37O4
Net Charge -1
Average Mass 413.571
Monoisotopic Mass 413.26973
InChI InChI=1S/C26H38O4/c1-17(2)11-9-12-18(3)13-10-14-19(4)15-16-26(7)21(6)22(25(29)30-8)23(27)20(5)24(26)28/h11,13,15,27H,9-10,12,14,16H2,1-8H3/p-1/b18-13+,19-15+/t26-/m1/s1
InChIKey MOEIIOVGJZQERK-KZSXVGMBSA-M
SMILES C1([C@@](C(=C(C(=C1C)[O-])C(=O)OC)C)(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)C)=O
ChEBI Ontology
Outgoing 3-farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester (CHEBI:142810) is a enolate (CHEBI:142839)
Synonym Source
3-farnesyl-2,3,5-trimethyl-6-hydroxy-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester UniProt
Last Modified
27 February 2024