Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA024291
PROPERTIES
NPAID | NPA024291 |
---|---|
CLUSTER ID | 7433 |
NODE ID | 5084 |
NAME | (-)-cochlactone A |
FORMULA | C21H26O5 |
MOLECULAR WEIGHT (Da) | 358.4340 |
ACCURATE MASS (Da) | 358.1780 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Ganoderma |
ORIGIN SPECIES | cochlear |
InChIKey | FXMUSHRKJDUFQJ-JRGCBEDISA-N |
InChI | InChI=1S/C21H26O5/c1-19(2)7-3-8-21-12-20(18(25)26-21,9-6-17(19)21)11-16(24)14-10-13(22)4-5-15(14)23/h4-5,10,17,22-23H,3,6-9,11-12H2,1-2H3/t17-,20+,21-/m1/s1 |
SMILES | CC1(CCC[C@]23[C@@H]1CC[C@](C2)(C(=O)O3)CC(=O)C4=C(C=CC(=C4)O)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Peng, Xing-Rong; Lu, Shuang-Yang; Shao, Li-Dong; Zhou, Lin; Qiu, Ming-Hua Structural Elucidation and Biomimetic Synthesis of (±)-Cochlactone A with Anti-Inflammatory Activity Journal of Organic Chemistry 2018 83 (10) 5516-5522. | ||
---|---|---|---|
DOI | 10.1021/acs.joc.8b00525 | PMID | 29707952 |