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CHEBI:220842 - Daedaleanic acid C
| Formula | C34H52O8 |
| Net Charge | 0 |
| Average Mass | 588.782 |
| Monoisotopic Mass | 588.36622 |
| SMILES | CC(C(=O)O)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)C1CC3 |
| InChI | InChI=1S/C34H52O8/c1-18(15-24(35)19(2)20(3)30(40)41)21-11-14-33(7)22-9-10-25-31(4,5)27(42-29(39)17-28(37)38)12-13-32(25,6)23(22)16-26(36)34(21,33)8/h18-21,25-27,36H,9-17H2,1-8H3,(H,37,38)(H,40,41)/t18-,19-,20?,21-,25?,26-,27-,32-,33+,34+/m1/s1 |
| InChIKey | TVQUBLZAXIBVSC-JTZAHIRPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daedalea dickinsii (ncbitaxon:157706) | - | PubMed (15974617) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Daedaleanic acid C (CHEBI:220842) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,6R)-6-[(3R,10S,12R,13R,14S,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78437668 | ChemSpider |