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CHEBI:63514 - erysimoside
| Formula | C35H52O14 |
| Net Charge | 0 |
| Average Mass | 696.787 |
| Monoisotopic Mass | 696.33571 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)CC[C@@]12C=O |
| InChI | InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1 |
| InChIKey | KQBVSIZPUWODNU-VRQSBXMXSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| erysimoside (CHEBI:63514) has functional parent strophanthidin (CHEBI:38178) |
| erysimoside (CHEBI:63514) is a 14β-hydroxy steroid (CHEBI:36862) |
| erysimoside (CHEBI:63514) is a 19-oxo steroid (CHEBI:38149) |
| erysimoside (CHEBI:63514) is a 5β-hydroxy steroid (CHEBI:38195) |
| erysimoside (CHEBI:63514) is a cardenolide glycoside (CHEBI:38092) |
| erysimoside (CHEBI:63514) is a steroid aldehyde (CHEBI:131565) |
| erysimoside (CHEBI:63514) is a steroid saponin (CHEBI:61655) |
| IUPAC Name |
|---|
| (3β,5β)-3-{[β-D-glucopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide |
| Synonyms | Source |
|---|---|
| strophanthidin digilanobioside | ChEBI |
| Erizimoside | ChemIDplus |
| Neoglucoerysimoside | ChemIDplus |
| (3β,5β)-3-{[2,6-dideoxy-4-O-(β-D-glucopyranosyl)-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolide | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:79099 | Reaxys |
| CAS:7082-34-0 | ChemIDplus |
| Citations |
|---|