CHEBI:220881 - (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione

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ChEBI Name (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
ChEBI ID CHEBI:220881
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O9
Net Charge 0
Average Mass 552.705
Monoisotopic Mass 552.32983
InChI InChI=1S/C30H48O9/c1-16-13-22-7-10-26(37-22)20(5)29(32)35-18(3)15-24-9-12-27(39-24)21(6)30(33)36-17(2)14-23-8-11-25(38-23)19(4)28(31)34-16/h16-27H,7-15H2,1-6H3/t16-,17-,18-,19+,20+,21+,22-,23-,24-,25+,26+,27+/m1/s1
InChIKey WYYHFYCQPHDAJE-ZCTZZWDBSA-N
SMILES O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(O[C@@H](C[C@@H]4O[C@H]([C@@H]1C)CC4)C)=O)C)CC3)C)C)CC2)C
Metabolite of Species Details
Streptomyces globisporus (NCBI:txid1908) See: DOI
ChEBI Ontology
Outgoing (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione (CHEBI:220881) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-2,5,11,14,20,23-hexamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
Manual Xref Database
9343962 ChemSpider
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