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CHEBI:172809 - Fasciculol F
| Formula | C39H65NO11 |
| Net Charge | 0 |
| Average Mass | 723.945 |
| Monoisotopic Mass | 723.45576 |
| SMILES | [H][C@]1([C@H](CO)CC[C@@H](O)C(C)(C)O)CC[C@@]2(C)C3=C(C[C@H](O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)NCC(=O)OC)[C@H](O)C(C)(C)C1CC3 |
| InChI | InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(43)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(42)35(3,4)48)37(27,6)17-26(33(34)47)51-31(45)19-36(5,49)18-30(44)40-20-32(46)50-9/h22-23,26-29,33,41-43,47-49H,10-21H2,1-9H3,(H,40,44)/t22-,23+,26+,27?,28+,29-,33-,36?,37+,38-,39-/m0/s1 |
| InChIKey | YKNPFZYHSXIFMX-FWXHQPNRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fasciculol F (CHEBI:172809) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(2R,3R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] 3-hydroxy-5-[(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoate |
| Manual Xrefs | Databases |
|---|---|
| 113720 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:65694-21-5 | ChemIDplus |