Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017248
PROPERTIES
| NPAID | NPA017248 |
|---|---|
| CLUSTER ID | 1108 |
| NODE ID | 363 |
| NAME | Alboatrin |
| FORMULA | C14H18O3 |
| MOLECULAR WEIGHT (Da) | 234.2950 |
| ACCURATE MASS (Da) | 234.1256 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Verticillium |
| ORIGIN SPECIES | albo-atrum |
| InChIKey | AYWHVIHSUTWUCM-GAJTVXKRSA-N |
| InChI | InChI=1S/C14H18O3/c1-8-4-10(15)5-13-11(8)6-12-9(2)7-16-14(12,3)17-13/h4-5,9,12,15H,6-7H2,1-3H3/t9-,12-,14-/m1/s1 |
| SMILES | C[C@@H]1CO[C@]2([C@@H]1CC3=C(O2)C=C(C=C3C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ichihara Akitami 1 , Nonaka Masahiko 1 , Sakamura Sadao 1 , Sato Rinzo 2 , Tajimi Akitoshi 2 Structure and Synthesis of Alboatrin, a Novel Phytotoxic Metabolite from Verticillium albo-atrum Chemistry Letters 1988 17 (1) 27-30. | ||
|---|---|---|---|
| DOI | 10.1246/cl.1988.27 | PMID | - |
SYNTHESES
| CITATION 1 | Panda B; Sarkar TK Gold catalysis: regio- and stereoselective total synthesis of xyloketals D and G and the related natural product alboatrin. Journal of Organic Chemistry 2013 78 (6) 2413-21. DOI: 10.1021/jo302545n PMID: 23428314 | ||
|---|---|---|---|
