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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (21S)-21-acetyl-apo-melianone
ChEBI ID CHEBI:231456
ChEBI ASCII Name (21S)-21-acetyl-apo-melianone
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C32H48O6
Net Charge 0
Average Mass 528.730
Monoisotopic Mass 528.34509
InChI InChI=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
InChIKey JJYFVZGESRUJQK-AGQLLGOFSA-N
SMILES C1CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O
ChEBI Ontology
Outgoing (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)
Synonym Source
(21S)-21-acetoxyl-apo-melianone UniProt
Citation Waiting for Citations Type Source
36701471 PubMed citation SUBMITTER