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CHEBI:231455 - 21-O-acetyl-isomeliandiol

ChEBI IDCHEBI:231455
ChEBI Name21-O-acetyl-isomeliandiol
Stars
ASCII Name21-O-acetyl-isomeliandiol
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H50O6
Net Charge0
Average Mass530.746
Monoisotopic Mass530.36074
SMILES[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C32H50O6/c1-17(33)36-27-18(15-20(37-27)26-29(4,5)38-26)19-9-10-21-30(19,6)13-11-22-31(7)14-12-24(34)28(2,3)23(31)16-25(35)32(21,22)8/h10,18-20,22-27,34-35H,9,11-16H2,1-8H3/t18-,19-,20+,22+,23-,24-,25+,26-,27+,30-,31+,32-/m0/s1
InChIKeyYKXCXXQWZMJJST-XLPPFTGQSA-N
ChEBI Ontology
Outgoing Relation(s)
21-O-acetyl-isomeliandiol (CHEBI:231455) is a acetate ester (CHEBI:47622)
21-O-acetyl-isomeliandiol (CHEBI:231455) is a epoxide (CHEBI:32955)
21-O-acetyl-isomeliandiol (CHEBI:231455) is a organic heterohexacyclic compound (CHEBI:51914)
21-O-acetyl-isomeliandiol (CHEBI:231455) is a tetracyclic triterpenoid (CHEBI:26893)
UniProt Name  Source
21-O-acetyl-isomeliandiolUniProt
Citations