ChEBI

CHEBI:69290 - sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

ChEBI Name sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate ChEBI ID CHEBI:69290 Definition A natural product found in Coscinoderma species. Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H43NaO7S Net Charge 0 Average Mass 534.68100 Monoisotopic Mass 534.26272 InChI InChI=1S/C27H44O7S.Na/c1-25(2)13-7-14-27(4)21(25)12-15-26(3)20(10-8-18-16-23(31-5)34-24(18)32-6)19(9-11-22(26)27)17-33-35(28,29)30;/h16-17,20-24H,7-15H2,1-6H3,(H,28,29,30);/q;+1/p-1/b19-17+;/t20-,21-,22-,23+,24-,26+,27-;/m0./s1 InChIKey KATFIEDZWYBENH-IBBDOYIQSA-M SMILES [Na+].[H][C@@]12CC[C@]3(C)[C@@H](CCC4=C[C@H](OC)O[C@@H]4OC)\C(CC[C@]3([H])[C@@]1(C)CCCC2(C)C)=C\OS([O-])(=O)=O Metabolite of Species Details Coscinoderma (NCBI:txid1162776) Methanol and methylene dichloride extract of lyophilized and macerated sponge See: PubMed Roles Classification Biological Role(s): metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate ) View more via ChEBI Ontology ChEBI Ontology Outgoing sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69290) has role metabolite (CHEBI:25212) sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((2S,5R)-2,5-dimethoxy-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate (CHEBI:69290) is a organic molecular entity (CHEBI:50860) Citation Type Source 21827183 PubMed citation Europe PMC