Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003916
PROPERTIES
| NPAID | NPA003916 |
|---|---|
| CLUSTER ID | 2105 |
| NODE ID | 11 |
| NAME | Lapatin B |
| FORMULA | C20H14N4O3 |
| MOLECULAR WEIGHT (Da) | 358.3570 |
| ACCURATE MASS (Da) | 358.1066 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | lapatayae IBT 10870 |
| InChIKey | RSCQCCZWYNEMPN-VKWYCSODSA-N |
| InChI | InChI=1S/C20H14N4O3/c25-17-14-9-20(11-6-2-4-8-13(11)22-19(20)27)15(23-17)16-21-12-7-3-1-5-10(12)18(26)24(14)16/h1-8,14-15H,9H2,(H,22,27)(H,23,25)/t14-,15+,20?/m0/s1 |
| SMILES | C1[C@H]2C(=O)N[C@@H](C13C4=CC=CC=C4NC3=O)C5=NC6=CC=CC=C6C(=O)N25 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Larsen, Thomas Ostenfeld; Petersen, Bent O.; Duus, Jens Ø.; Sørensen, Dan; Frisvad, Jens C.; Hansen, Michael E. Discovery of New Natural Products by Application of X-hitting, a Novel Algorithm for Automated Comparison of Full UV Spectra, Combined with Structural Determination by NMR Spectroscopy Journal of Natural Products 2005 68 (6) 871-874. | ||
|---|---|---|---|
| DOI | 10.1021/np040248s | PMID | 15974610 |
SYNTHESES
| CITATION 1 | Leca D; Gaggini F; Cassayre J; Loiseleur O; Pieniazek SN; Luft JA; Houk KN Acid-catalyzed aza-Diels-Alder reactions for the total synthesis of (+/-)-lapatin B. Journal of Organic Chemistry 2007 72 (11) 4284-7. DOI: 10.1021/jo0705162 PMID: 17480097 | ||
|---|---|---|---|
