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CHEBI:203098 - Daedaleaside D
| Formula | C39H60O10 |
| Net Charge | 0 |
| Average Mass | 688.899 |
| Monoisotopic Mass | 688.41865 |
| SMILES | C=C(CC[C@@H](C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C39H60O10/c1-20(2)21(3)10-11-23(34(46)49-35-33(45)32(44)31(43)27(19-40)48-35)30-26(47-22(4)41)18-39(9)25-12-13-28-36(5,6)29(42)15-16-37(28,7)24(25)14-17-38(30,39)8/h20,23,26-28,30-33,35,40,43-45H,3,10-19H2,1-2,4-9H3/t23-,26-,27-,28+,30+,31-,32+,33-,35?,37-,38-,39+/m1/s1 |
| InChIKey | RSBAXXTZWHYISF-HYOMDHRKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daedalea dickinsii (ncbitaxon:157706) | - | PubMed (15974617) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Daedaleaside D (CHEBI:203098) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate |
| Manual Xrefs | Databases |
|---|---|
| 78436958 | ChemSpider |