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

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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 1beta,5alpha,6alpha,14-tetraacetoxy-9alpha-benzoyloxy-7beta H-eudesman-2beta,11-diol
ChEBI ID CHEBI:207401
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C30H40O12
Net Charge 0
Average Mass 592.638
Monoisotopic Mass 592.25198
InChI InChI=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
InChIKey XMGAZTZUZSAXSL-UKECEGMESA-N
SMILES O=C(O[C@H]1[C@@]2([C@@](OC(=O)C)([C@@H](OC(=O)C)[C@H](C1)C(O)(C)C)[C@H](C[C@H]([C@H]2OC(=O)C)O)C)COC(=O)C)C3=CC=CC=C3
Metabolite of Species Details
Pestalotiopsis (NCBI:txid37840) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
30771310 ChemSpider
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