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CHEBI:215122 - Piptolinic acid A
| Formula | C39H60O8 |
| Net Charge | 0 |
| Average Mass | 656.901 |
| Monoisotopic Mass | 656.42882 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(=O)C[C@@](C)(O)CC(=O)OC)CC[C@]4(C)C3=C[C@H](OC)[C@]12C)[C@H](C)C(=O)O |
| InChI | InChI=1S/C39H60O8/c1-23(25(3)34(42)43)12-13-24(2)26-16-19-38(8)27-14-15-29-35(4,5)30(47-33(41)22-36(6,44)21-32(40)46-11)17-18-37(29,7)28(27)20-31(45-10)39(26,38)9/h14,20,24-26,29-31,44H,1,12-13,15-19,21-22H2,2-11H3,(H,42,43)/t24-,25+,26-,29+,30-,31+,36+,37-,38+,39+/m1/s1 |
| InChIKey | HDEYPWNVBOCOQU-JJTVPUFZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fomitopsis betulina (ncbitaxon:40450) | - | PubMed (28800422) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Piptolinic acid A (CHEBI:215122) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,6R)-6-[(3R,5R,10S,12S,13R,14S,17R)-3-[(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy-12-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442163 | ChemSpider |