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CHEBI:166556 - 3,16-Dideoxymexicanolide-3alpha-diol

ChEBI IDCHEBI:166556
ChEBI Name3,16-Dideoxymexicanolide-3alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O7
Net Charge0
Average Mass472.578
Monoisotopic Mass472.24610
SMILES[H][C@@]12CC3=C4CC(O)O[C@@H](c5ccoc5)[C@@]4(C)CCC3[C@](C)(C1=O)[C@@H](CC(=O)OC)C(C)(C)[C@@H]2O
InChIInChI=1S/C27H36O7/c1-25(2)19(12-20(28)32-5)27(4)17-6-8-26(3)18(15(17)10-16(22(25)30)23(27)31)11-21(29)34-24(26)14-7-9-33-13-14/h7,9,13,16-17,19,21-22,24,29-30H,6,8,10-12H2,1-5H3/t16-,17?,19-,21?,22+,24-,26-,27-/m0/s1
InChIKeyCNSUXOYAIZBGRY-UPGCXNCJSA-N
ChEBI Ontology
Outgoing Relation(s)
3,16-Dideoxymexicanolide-3alpha-diol (CHEBI:166556) is a organic heterotricyclic compound (CHEBI:26979)
3,16-Dideoxymexicanolide-3alpha-diol (CHEBI:166556) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl 2-[(1S,5S,6R,13S,14R,16S)-6-(uran-3-yl)-8,14-dihydroxy-1,5,15,15-tetramethyl-17-oxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
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