Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009042
PROPERTIES
| NPAID | NPA009042 |
|---|---|
| CLUSTER ID | 1605 |
| NODE ID | 1315 |
| NAME | Roussoellol B |
| FORMULA | C20H28O4 |
| MOLECULAR WEIGHT (Da) | 332.4400 |
| ACCURATE MASS (Da) | 332.1988 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Roussoella |
| ORIGIN SPECIES | hysterioides KT1651 |
| InChIKey | WEFXSEUQARFDAB-ZPNDDTDNSA-N |
| InChI | InChI=1S/C20H28O4/c1-10(2)16-14-6-5-12-17-13(8-19(14,4)9-15(16)21)11(3)7-20(17,23)24-18(12)22/h5,10-11,13,15,17,21,23H,6-9H2,1-4H3/b12-5+/t11-,13-,15-,17-,19-,20+/m0/s1 |
| SMILES | C[C@H]1C[C@@]2([C@@H]/3[C@H]1C[C@]4(C[C@@H](C(=C4C/C=C3/C(=O)O2)C(C)C)O)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takekawa, Hiroto; Tanaka, Kazuaki; Fukushi, Eri; Matsuo, Koichi; Nehira, Tatsuo; Hashimoto, Masaru Roussoellols A and B, tetracyclic fusicoccanes from Roussoella hysterioides Journal of Natural Products 2013 76 (6) 1047-1051. | ||
|---|---|---|---|
| DOI | 10.1021/np400045z | PMID | 23692046 |
