Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002956
PROPERTIES
| NPAID | NPA002956 |
|---|---|
| CLUSTER ID | 1108 |
| NODE ID | 363 |
| NAME | Xyloketal A |
| FORMULA | C27H36O6 |
| MOLECULAR WEIGHT (Da) | 456.5790 |
| ACCURATE MASS (Da) | 456.2512 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Xylaria |
| ORIGIN SPECIES | sp. (no. 2508) |
| InChIKey | HFZTVRRNBDAJIS-PERNPGNGSA-N |
| InChI | InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1 |
| SMILES | C[C@H]1CO[C@]2([C@@H]1CC3=C4C(=C5C(=C3O2)C[C@@H]6[C@H](CO[C@@]6(O5)C)C)C[C@@H]7[C@H](CO[C@@]7(O4)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lin; Wu; Feng; Jiang; Luo; Zhou; Vrijmoed; Jones; Krohn; Steingroever; Zsila Five unique compounds: Xyloketals from mangrove fungus Xylaria sp. from the South China Sea coast Journal of Organic Chemistry 2001 66 (19) 6252-6256. | ||
|---|---|---|---|
| DOI | 10.1021/jo015522r | PMID | 11559170 |
SYNTHESES
| CITATION 1 | Pettigrew JD; Wilson PD Total synthesis of (-)-xyloketal A. Organic Letters 2006 8 (7) 1427-1429. DOI: 10.1021/ol060266w PMID: 16562908 | ||
|---|---|---|---|
