Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023965
PROPERTIES
| NPAID | NPA023965 |
|---|---|
| CLUSTER ID | 7327 |
| NODE ID | 5019 |
| NAME | Peniroquesine A |
| FORMULA | C25H40O2 |
| MOLECULAR WEIGHT (Da) | 372.5930 |
| ACCURATE MASS (Da) | 372.3028 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | roqueforti YJ-14 |
| InChIKey | NHQMKSUTHDCJCC-DRKMRSHQSA-N |
| InChI | InChI=1S/C25H40O2/c1-14-7-8-16-18(26)11-15-17(25(14,16)6)12-24(5)19(27)13-23(4)10-9-22(2,3)21(23)20(15)24/h12,14-16,18-21,26-27H,7-11,13H2,1-6H3/t14-,15+,16+,18-,19+,20+,21-,23-,24-,25+/m0/s1 |
| SMILES | C[C@H]1CC[C@H]2[C@@]1(C3=C[C@]4([C@@H](C[C@@]5(CCC([C@@H]5[C@H]4[C@@H]3C[C@@H]2O)(C)C)C)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Jia-Peng; Yu, Jing; Shu, Yan; Shi, Ya-Xian; Luo, Ping; Cai, Le; Ding, Zhong-Tao Peniroquesines A-C: Sesterterpenoids Possessing a 5-6-5-6-5-Fused Pentacyclic Ring System from Penicillium roqueforti YJ-14 Organic Letters 2018 20 (18) 5853-5856. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b02534 | PMID | 30156854 |
