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CHEBI:231466 - (21S)-1,21-diacetoxy-apo-melianone

ChEBI IDCHEBI:231466
ChEBI Name(21S)-1,21-diacetoxy-apo-melianone
Stars
ASCII Name(21S)-1,21-diacetoxy-apo-melianone
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H50O8
Net Charge0
Average Mass586.766
Monoisotopic Mass586.35057
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(=O)CC(OC(C)=O)[C@]21C
InChIInChI=1S/C34H50O8/c1-17(35)39-27-16-25(37)30(3,4)24-15-26(38)33(8)22-11-10-20(32(22,7)13-12-23(33)34(24,27)9)19-14-21(28-31(5,6)42-28)41-29(19)40-18(2)36/h11,19-21,23-24,26-29,38H,10,12-16H2,1-9H3/t19-,20-,21+,23-,24-,26+,27?,28-,29+,32-,33-,34+/m0/s1
InChIKeyARKOFYSZAVJBKB-GKRPFBJSSA-N
ChEBI Ontology
Outgoing Relation(s)
(21S)-1,21-diacetoxy-apo-melianone (CHEBI:231466) is a acetate ester (CHEBI:47622)
(21S)-1,21-diacetoxy-apo-melianone (CHEBI:231466) is a epoxide (CHEBI:32955)
(21S)-1,21-diacetoxy-apo-melianone (CHEBI:231466) is a organic heterohexacyclic compound (CHEBI:51914)
(21S)-1,21-diacetoxy-apo-melianone (CHEBI:231466) is a tetracyclic triterpenoid (CHEBI:26893)
UniProt Name  Source
(21S)-1,21-diacetoxy-apo-melianoneUniProt
Citations