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CHEBI:205421 - (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione

ChEBI IDCHEBI:205421
ChEBI Name(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O9
Net Charge0
Average Mass566.732
Monoisotopic Mass566.34548
SMILESCC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
InChIInChI=1S/C31H50O9/c1-7-22-16-25-10-13-27(39-25)20(5)30(33)36-17(2)14-23-8-11-26(37-23)19(4)29(32)35-18(3)15-24-9-12-28(38-24)21(6)31(34)40-22/h17-28H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22-,23-,24-,25-,26+,27+,28+/m1/s1
InChIKeyKAINWDADJCHLRS-XEGQTWRHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus (ncbitaxon:1908) - DOI (10.1016/j.tet.2004.04.006)
ChEBI Ontology
Outgoing Relation(s)
(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione (CHEBI:205421) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
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9619319ChemSpider