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CHEBI:181076 - [(1R,3E,9R,10E,13S,14R)-9-acetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate

ChEBI IDCHEBI:181076
ChEBI Name[(1R,3E,9R,10E,13S,14R)-9-acetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O6
Net Charge0
Average Mass480.601
Monoisotopic Mass480.25119
SMILESCC(=O)O[C@@H]1CC2C(/C=C(\C)C(=O)[C@@]3(O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)C3/C=C/1C)C2(C)C
InChIInChI=1S/C29H36O6/c1-16-12-23-25(35-27(32)20-10-8-7-9-11-20)18(3)15-29(23,33)26(31)17(2)13-21-22(28(21,5)6)14-24(16)34-19(4)30/h7-13,18,21-25,33H,14-15H2,1-6H3/b16-12+,17-13+/t18-,21?,22?,23?,24-,25+,29-/m1/s1
InChIKeyWTURHHSEHGCTBS-OMKDOCLMSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,3E,9R,10E,13S,14R)-9-acetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate (CHEBI:181076) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,3E,9R,10E,13S,14R)-9-acetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate
Manual XrefsDatabases
29814152ChemSpider