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CHEBI:142811 - 3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester

ChEBI IDCHEBI:142811
ChEBI Name3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
Stars
ASCII Name3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
DefinitionMajor species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
Last Modified27 February 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H37O5
Net Charge-1
Average Mass429.577
Monoisotopic Mass429.26465
SMILESCOC(=O)C1=C(C)[C@@](C)(C/C=C(\C)CC/C=C(\C)CC[C@H]2OC2(C)C)C(=O)C(C)=C1[O-]
InChIInChI=1S/C26H38O5/c1-16(12-13-20-25(5,6)31-20)10-9-11-17(2)14-15-26(7)19(4)21(24(29)30-8)22(27)18(3)23(26)28/h10,14,20,27H,9,11-13,15H2,1-8H3/p-1/b16-10+,17-14+/t20-,26-/m1/s1
InChIKeyCBAYKJHEDADKPT-SASRHTIMSA-M
ChEBI Ontology
Outgoing Relation(s)
3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester (CHEBI:142811) is a enolate (CHEBI:142839)
UniProt Name  Source
3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl esterUniProt