Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007970
PROPERTIES
| NPAID | NPA007970 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Asperazine A |
| FORMULA | C40H36N6O4 |
| MOLECULAR WEIGHT (Da) | 664.7660 |
| ACCURATE MASS (Da) | 664.2798 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niger |
| InChIKey | FETKGWYJMCJTFQ-CLWBWSEQSA-N |
| InChI | InChI=1S/C40H36N6O4/c47-35-30(19-24-11-3-1-4-12-24)41-36(48)31(42-35)21-26-23-45(33-18-10-7-15-27(26)33)40-22-34-37(49)43-32(20-25-13-5-2-6-14-25)38(50)46(34)39(40)44-29-17-9-8-16-28(29)40/h1-18,23,30-32,34,39,44H,19-22H2,(H,41,48)(H,42,47)(H,43,49)/t30-,31+,32-,34+,39-,40+/m1/s1 |
| SMILES | C1[C@H]2C(=O)N[C@@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3)N5C=C(C6=CC=CC=C65)C[C@H]7C(=O)N[C@@H](C(=O)N7)CC8=CC=CC=C8)CC9=CC=CC=C9 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Xiao-Bin; Li, Yue-Lan; Zhou, Jin-Chuan; Yuan, Hui-Qing; Wang, Xiao-Ning; Lou, Hong-Xiang A new diketopiperazine heterodimer from an endophytic fungus Aspergillus Niger Journal of Asian Natural Products Research 2015 17 (2) 182-187. | ||
|---|---|---|---|
| DOI | 10.1080/10286020.2014.959939 | PMID | 25401948 |
SYNTHESES
| CITATION 1 | Nelson BM; Loach RP; Schiesser S; Movassaghi M Concise total synthesis of (+)-asperazine A and (+)-pestalazine B. Organic & Biomolecular Chemistry 2018 16 (2) 202-207. DOI: 10.1039/c7ob02985c PMID: 29243756 | ||
|---|---|---|---|
