Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009063
PROPERTIES
| NPAID | NPA009063 |
|---|---|
| CLUSTER ID | 3799 |
| NODE ID | 2850 |
| NAME | Xylarenal A |
| FORMULA | C25H38O4 |
| MOLECULAR WEIGHT (Da) | 402.5750 |
| ACCURATE MASS (Da) | 402.2770 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | persicaria |
| InChIKey | STMJKOIBKJGTDP-MLNLTJHKSA-N |
| InChI | InChI=1S/C25H38O4/c1-5-6-7-8-9-10-11-12-24(28)29-23-14-13-19(3)25(4)16-20(18(2)17-26)22(27)15-21(23)25/h15,17,19-20,23H,2,5-14,16H2,1,3-4H3/t19-,20-,23+,25+/m1/s1 |
| SMILES | CCCCCCCCCC(=O)O[C@H]1CC[C@H]([C@]2(C1=CC(=O)[C@H](C2)C(=C)C=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Smith, Cameron J.; Morin, Nancy R.; Bills, Gerald F.; Dombrowski, Anne W.; Salituro, Gino M.; Smith, Scott K.; Zhao, Annie; MacNeil, Douglas J. Novel sesquiterpenoids from the fermentation of Xylaria persicaria are selective ligands for the NPY Y5 receptor Journal of Organic Chemistry 2002 67 (14) 5001-5004. | ||
|---|---|---|---|
| DOI | 10.1021/jo011054 | PMID | 12098324 |
SYNTHESES
| CITATION 1 | Díaz S; González A; Bradshaw B; Cuesta J; Bonjoch J Enantioselective syntheses of (+)-xylarenal A and ent-xylarenal A. Journal of Organic Chemistry 2005 70 (9) 3749-3752. DOI: 10.1021/jo0502450 PMID: 15845022 | ||
|---|---|---|---|
