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CHEBI:207401 - 1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol

ChEBI IDCHEBI:207401
ChEBI Name1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O12
Net Charge0
Average Mass592.638
Monoisotopic Mass592.25198
SMILESCC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](O)C[C@H](C)[C@]1(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C(C)(C)O)C[C@H]2OC(=O)c1ccccc1
InChIInChI=1S/C30H40O12/c1-16-13-23(35)26(40-19(4)33)29(15-38-17(2)31)24(41-27(36)21-11-9-8-10-12-21)14-22(28(6,7)37)25(39-18(3)32)30(16,29)42-20(5)34/h8-12,16,22-26,35,37H,13-15H2,1-7H3/t16-,22-,23+,24+,25-,26+,29-,30-/m0/s1
InChIKeyXMGAZTZUZSAXSL-UKECEGMESA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (23917067)
ChEBI Ontology
Outgoing Relation(s)
1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol (CHEBI:207401) has functional parent hexacarboxylic acid (CHEBI:59359)
1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol (CHEBI:207401) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,3S,4S,4aR,5S,7R,8S,8aS)-4,4a,8-triacetyloxy-8a-(acetyloxymethyl)-7-hydroxy-3-(2-hydroxypropan-2-yl)-5-methyl-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl] benzoate
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