CHEBI:202881 - 4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betaH-eudesman-1beta,2beta,11, 14-tetraol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betaH-eudesman-1beta,2beta,11, 14-tetraol
ChEBI ID CHEBI:202881
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O10
Net Charge 0
Average Mass 508.564
Monoisotopic Mass 508.23085
InChI InChI=1S/C26H36O10/c1-15(28)35-24(5)13-19(30)21(31)25(14-27)20(34-22(32)17-9-7-6-8-10-17)11-18(23(3,4)33)12-26(24,25)36-16(2)29/h6-10,18-21,27,30-31,33H,11-14H2,1-5H3/t18-,19+,20+,21+,24+,25-,26+/m0/s1
InChIKey SGJICULKIRHGJX-YEQNHOGMSA-N
SMILES O=C(O[C@H]1[C@@]2([C@](OC(=O)C)([C@](OC(=O)C)(C[C@H]([C@H]2O)O)C)C[C@H](C1)C(O)(C)C)CO)C3=CC=CC=C3
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: PubMed
ChEBI Ontology
Outgoing 4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betaH-eudesman-1beta,2beta,11, 14-tetraol (CHEBI:202881) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name
[(1R,3S,4aS,5R,7R,8S,8aR)-4a,5-diacetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-5-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl] benzoate
Manual Xref Database
30771311 ChemSpider
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