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CHEBI:176171 - Austalide I

ChEBI IDCHEBI:176171
ChEBI NameAustalide I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O8
Net Charge0
Average Mass486.561
Monoisotopic Mass486.22537
SMILES[H][C@]12Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]1(C)C[C@@H](OC(C)=O)[C@@]1([H])C(C)(C)OC(=O)CC[C@]21C
InChIInChI=1S/C27H34O8/c1-13-16-12-32-24(30)20(16)22(31-7)15-10-18-26(5)9-8-19(29)34-25(3,4)23(26)17(33-14(2)28)11-27(18,6)35-21(13)15/h17-18,23H,8-12H2,1-7H3/t17-,18-,23+,26-,27+/m1/s1
InChIKeyXBPVWACQUMEORV-YZXBTVPESA-N
ChEBI Ontology
Outgoing Relation(s)
Austalide I (CHEBI:176171) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(1S,13R,14R,20S,21R)-10-methoxy-1,4,14,19,19-pentamethyl-8,17-dioxo-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-trien-21-yl] acetate
Manual XrefsDatabases
58828557ChemSpider
Registry NumbersSources
CAS:96817-08-2ChemIDplus