Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002966
PROPERTIES
| NPAID | NPA002966 |
|---|---|
| CLUSTER ID | 233 |
| NODE ID | 11 |
| NAME | Nigerone |
| FORMULA | C32H26O10 |
| MOLECULAR WEIGHT (Da) | 570.5500 |
| ACCURATE MASS (Da) | 570.1526 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | MBDIPBHBEVOYQB-UHFFFAOYSA-N |
| InChI | InChI=1S/C32H26O10/c1-13-7-19(33)27-29(35)23-17(9-15(37-3)11-21(23)39-5)25(31(27)41-13)26-18-10-16(38-4)12-22(40-6)24(18)30(36)28-20(34)8-14(2)42-32(26)28/h7-12,35-36H,1-6H3 |
| SMILES | CC1=CC(=O)C2=C(C3=C(C=C(C=C3C(=C2O1)C4=C5C(=C(C6=C(C=C(C=C64)OC)OC)O)C(=O)C=C(O5)C)OC)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gorst-Allman, Dharles P; Stern, Pieter S; Rabie, Christiaan J Structural elucidation of the nigerones, four new naphthopyrones from cultures of Aspergillus niger Journal of the Chemical Society, Perkin Transactions 1 1980 2474-2479. | ||
|---|---|---|---|
| DOI | 10.1039/p19800002474 | PMID | - |
SYNTHESES
| CITATION 1 | Divirgilio ES; Dugan EC; Mulrooney CA; Kozlowski MC Asymmetric total synthesis of nigerone. Organic Letters 2007 9 (3) 385-8. DOI: 10.1021/ol062468y PMID: 17249768 | ||
|---|---|---|---|
