Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003988
PROPERTIES
| NPAID | NPA003988 |
|---|---|
| CLUSTER ID | 2127 |
| NODE ID | 1698 |
| NAME | Penitrem B |
| FORMULA | C37H45NO5 |
| MOLECULAR WEIGHT (Da) | 583.7690 |
| ACCURATE MASS (Da) | 583.3298 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | CRPJNVUYZRFGAK-WKAGVDCZSA-N |
| InChI | InChI=1S/C37H45NO5/c1-16(2)29-28(39)32-37(43-32)23(41-29)11-12-34(6)35(7)20(10-13-36(34,37)40)30-27-26-22(38-31(27)35)9-8-18-14-17(3)19-15-21(25(19)24(18)26)33(4,5)42-30/h8-9,19-21,23,25,28-30,32,38-40H,1,3,10-15H2,2,4-7H3/t19-,20+,21+,23+,25+,28+,29-,30+,32-,34-,35-,36+,37+/m1/s1 |
| SMILES | CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@H]8C1=C(CC9=C)C=CC(=C17)N6)(C)C)C)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | de Jesus, Amelia E.; Steyn, Pieter S.; van Heerden, Fanie R.; Vleggaar, Robert; Wessels, Philippus L.; Hull, William E. Tremorgenic mycotoxins from Penicillium crustosum. Structure elucidation and absolute configuration of penitrems B–F. Journal of the Chemical Society, Perkin Transactions 1 1983 (0) 1857-1861. | ||
|---|---|---|---|
| DOI | 10.1039/p19830001857 | PMID | - |
