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CHEBI:204047 - 11beta-acetoxyisoaustinone

Default Structure
ChEBI IDCHEBI:204047
ChEBI Name11beta-acetoxyisoaustinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
SMILESC=C1[C@@]2(C)C(=O)[C@@]3(O)[C@H](C)OC(=O)[C@@]13[C@]1(C)CC[C@]3(C=CC(=O)OC3(C)C)C(C)=C1[C@H]2OC(C)=O
InChIInChI=1S/C27H32O8/c1-13-18-19(34-16(4)28)24(8)14(2)26(21(31)33-15(3)27(26,32)20(24)30)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1
InChIKeyDBPLAZICOMCSTQ-WLEVADLXSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.tet.2014.12.009)
ChEBI Ontology
Outgoing Relation(s)
11beta-acetoxyisoaustinone (CHEBI:204047) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1R,2R,5S,8R,9R,11S,12S)-11-hydroxy-2,2',2',6,9,12-hexamethyl-15-methylidene-6',10,14-trioxospiro[13-oxatetracyclo[7.5.1.01,11.02,7]pentadec-6-ene-5,3'-pyran]-8-yl] acetate
Manual XrefsDatabases
35516794ChemSpider