Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002534
PROPERTIES
| NPAID | NPA002534 |
|---|---|
| CLUSTER ID | 1497 |
| NODE ID | 369 |
| NAME | A-108835 |
| FORMULA | C32H50O8S |
| MOLECULAR WEIGHT (Da) | 594.8110 |
| ACCURATE MASS (Da) | 594.3226 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | compactum |
| InChIKey | BGABDSBXSCYPTK-PGHPLGCHSA-N |
| InChI | InChI=1S/C32H50O8S/c1-17(2)18(3)10-11-19(4)22-13-14-23-21-12-15-25-30(6,7)28(40-41(36,37)38)24(34)16-31(25,8)26(21)27(35)29(32(22,23)9)39-20(5)33/h14,17,19,22,24-25,27-29,34-35H,3,10-13,15-16H2,1-2,4-9H3,(H,36,37,38)/t19-,22-,24-,25+,27-,28+,29+,31+,32-/m1/s1 |
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC=C2[C@@]1([C@H]([C@@H](C3=C2CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)OS(=O)(=O)O)O)C)O)OC(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brill, Gregory M.; Kati, Warren M.; Montgomery, Debra; Karwowski, James P.; Humphrey, Patrick E.; Jackson, Marianna; Clement, Jacob J.; Kadam, Sunil; Chen, Randal H.; McAlpine, James B. Novel triterpene sulfates from Fusarium compactum using a rhinovirus 3C protease inhibitor screen Journal of Antibiotics 1996 49 (6) 541-546. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.541 | PMID | 8698636 |
