Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016920
PROPERTIES
| NPAID | NPA016920 |
|---|---|
| CLUSTER ID | 1770 |
| NODE ID | 1435 |
| NAME | Cephalimysin C |
| FORMULA | C22H21NO7 |
| MOLECULAR WEIGHT (Da) | 411.4100 |
| ACCURATE MASS (Da) | 411.1318 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | PXIIDWGMSCTXAQ-BAGYTPMASA-N |
| InChI | InChI=1S/C22H21NO7/c1-4-14-10-11-15(29-14)16-12(2)17(24)21(30-16)19(26)22(28-3,23-20(21)27)18(25)13-8-6-5-7-9-13/h5-11,19,26H,4H2,1-3H3,(H,23,27)/t19-,21+,22-/m1/s1 |
| SMILES | CCC1=CC=C(O1)C2=C(C(=O)[C@]3(O2)[C@H]([C@@](NC3=O)(C(=O)C4=CC=CC=C4)OC)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yamada, Takeshi; Kitada, Hiroki; Kajimoto, Tetsuya; Numata, Atsushi; Tanaka, Reiko The relationship between the CD cotton effect and the absolute configuration of FD-838 and its seven stereoisomers Journal of Organic Chemistry 2010 75 (12) 4146-4153. | ||
|---|---|---|---|
| DOI | 10.1021/jo100496f | PMID | 20507073 |
