Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017380
PROPERTIES
| NPAID | NPA017380 |
|---|---|
| CLUSTER ID | 2127 |
| NODE ID | 1698 |
| NAME | Secopenitrem B |
| FORMULA | C37H47NO5 |
| MOLECULAR WEIGHT (Da) | 585.7850 |
| ACCURATE MASS (Da) | 585.3454 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sulphureus |
| InChIKey | RXIIMUUHXDIUNS-JPOHLTMNSA-N |
| InChI | InChI=1S/C37H47NO5/c1-17(2)30-29(39)32-37(43-32)25(42-30)11-12-34(6)35(7)20(10-13-36(34,37)41)15-22-28-24(38-31(22)35)9-8-19-14-18(3)21-16-23(33(4,5)40)27(21)26(19)28/h8-9,20-21,23,25,27,29-30,32,38-41H,1,3,10-16H2,2,4-7H3/t20-,21+,23-,25-,27-,29-,30+,32+,34+,35+,36-,37-/m0/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=C(C5)C7=C(N6)C=CC8=C7[C@H]9[C@H](C[C@@H]9C(C)(C)O)C(=C)C8)C)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Laakso, Jodi A.; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F. Sulpinines A-C and Secopenitrem B: New Antiinsectan Metabolites from the Sclerotia of Aspergillus sulphureus Journal of Organic Chemistry 1992 57 (7) 2066-2071. | ||
|---|---|---|---|
| DOI | 10.1021/jo00033a030 | PMID | - |
