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CHEBI:231456 - (21S)-21-acetyl-apo-melianone

ChEBI IDCHEBI:231456
ChEBI Name(21S)-21-acetyl-apo-melianone
Stars
ASCII Name(21S)-21-acetyl-apo-melianone
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H48O6
Net Charge0
Average Mass528.730
Monoisotopic Mass528.34509
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[C@]21C
InChIInChI=1S/C32H48O6/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/h10,18-20,22-23,25-27,35H,9,11-16H2,1-8H3/t18-,19-,20+,22+,23-,25+,26-,27+,30-,31+,32-/m0/s1
InChIKeyJJYFVZGESRUJQK-AGQLLGOFSA-N
ChEBI Ontology
Outgoing Relation(s)
(21S)-21-acetyl-apo-melianone (CHEBI:231456) is a acetate ester (CHEBI:47622)
(21S)-21-acetyl-apo-melianone (CHEBI:231456) is a epoxide (CHEBI:32955)
(21S)-21-acetyl-apo-melianone (CHEBI:231456) is a organic heterohexacyclic compound (CHEBI:51914)
(21S)-21-acetyl-apo-melianone (CHEBI:231456) is a pentacyclic triterpenoid (CHEBI:25872)
UniProt Name  Source
(21S)-21-acetoxyl-apo-melianoneUniProt
Citations