CHEBI:175936 - 8-Epidiosbulbin E acetate

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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 8-Epidiosbulbin E acetate
ChEBI ID CHEBI:175936
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O7
Net Charge 0
Average Mass 388.416
Monoisotopic Mass 388.15220
InChI InChI=1S/C21H24O7/c1-10(22)26-16-7-15-20(24)28-17(11-3-4-25-9-11)8-21(15,2)14-6-12-5-13(18(14)16)19(23)27-12/h3-4,9,12-18H,5-8H2,1-2H3/t12-,13+,14+,15+,16-,17-,18+,21-/m0/s1
InChIKey DYSOIAQEKRDXRB-GFTCARDDSA-N
SMILES O1[C@@]2(C[C@]3([C@]4([C@](C[C@H](OC(=O)C)[C@@]3([C@@](C2)(C1=O)[H])[H])(C(O[C@@H](C4)C=5C=COC5)=O)[H])C)[H])[H]
ChEBI Ontology
Outgoing 8-Epidiosbulbin E acetate (CHEBI:175936) is a organic heterotricyclic compound (CHEBI:26979)
8-Epidiosbulbin E acetate (CHEBI:175936) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,2S,3S,5S,8S,10S,11R,13R)-8-(uran-3-yl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate
Manual Xref Database
95532215 ChemSpider
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