Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004681466 | Bronze | Aurofusarin |
| CCMSLIB00004681478 | Bronze | Aurofusarin |
| CCMSLIB00005727313 | Gold | 3 |
| CCMSLIB00005727428 | Gold | 3 |
| CCMSLIB00005727330 | Gold | 3 |
| CCMSLIB00005727246 | Gold | 3 |
| CCMSLIB00005727130 | Gold | 3 |
COMPOUND NPA006538
PROPERTIES
| NPAID | NPA006538 |
|---|---|
| CLUSTER ID | 511 |
| NODE ID | 458 |
| NAME | Aurofusarin |
| FORMULA | C30H18O12 |
| MOLECULAR WEIGHT (Da) | 570.4620 |
| ACCURATE MASS (Da) | 570.0798 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | graminearum |
| InChIKey | VSWWTKVILIZDGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3 |
| SMILES | CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gray, JS; Martin, GCJ; Rigby, W Aurofusarin Journal of the Chemical Society C: Organic 1967 2580-2587. | ||
|---|---|---|---|
| DOI | 10.1039/j39670002580 | PMID | - |
SYNTHESES
| CITATION 1 | Qi C; Wang W; Reichl KD; McNeely J; Porco JA Total Synthesis of Aurofusarin: Studies on the Atropisomeric Stability of Bis-Naphthoquinones. Angewandte Chemie International Edition 2018 57 (8) 2101-2104. DOI: 10.1002/anie.201711535 PMID: 29318760 | ||
|---|---|---|---|
