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CHEBI:223485 - 11-oxo-colobetaolactone VIII

Default Structure
ChEBI IDCHEBI:223485
ChEBI Name11-oxo-colobetaolactone VIII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O8
Net Charge0
Average Mass552.664
Monoisotopic Mass552.27232
SMILESCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@H]2OC(=O)C(C)=C[C@@H]2O)[C@@]2(C)CC(=O)C3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C
InChIInChI=1S/C32H40O8/c1-16-12-24(34)28(39-29(16)37)17(2)23-14-26(38-18(3)33)32(7)22-10-9-21-19(8-11-27(36)40-30(21,4)5)13-20(22)25(35)15-31(23,32)6/h8,11-13,17,21,23-24,26,28,34H,9-10,14-15H2,1-7H3/t17-,21+,23+,24-,26+,28+,31+,32+/m0/s1
InChIKeyBGPVGGPEMWSNKY-WVMGMMBTSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
11-oxo-colobetaolactone VIII (CHEBI:223485) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(9R,13R,14R,16R,17R)-16-[(1S)-1-[(2R,3S)-3-hydroxy-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6,19-dioxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-14-yl] acetate
Manual XrefsDatabases
128440875ChemSpider