Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003080
PROPERTIES
| NPAID | NPA003080 |
|---|---|
| CLUSTER ID | 1753 |
| NODE ID | 1426 |
| NAME | 15-deacetylcalonectrin |
| FORMULA | C17H24O5 |
| MOLECULAR WEIGHT (Da) | 308.3740 |
| ACCURATE MASS (Da) | 308.1624 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Calonectria |
| ORIGIN SPECIES | nivalis |
| InChIKey | DFPPNUOWRKIOKO-KWRZAIAESA-N |
| InChI | InChI=1S/C17H24O5/c1-10-4-5-16(8-18)13(6-10)22-14-12(21-11(2)19)7-15(16,3)17(14)9-20-17/h6,12-14,18H,4-5,7-9H2,1-3H3/t12-,13-,14-,15-,16-,17+/m1/s1 |
| SMILES | CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gardner, D; Glen, A T; Turner, W B Calonectrin and 15-deacetylcalonectrin, new trichothecanes from Calonectria nivalis Journal of the Chemical Society, Perkin Transactions 1 1972 20 2576-2578. | ||
|---|---|---|---|
| DOI | 10.1039/p19720002576 | PMID | 4674788 |
