Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014804
PROPERTIES
| NPAID | NPA014804 |
|---|---|
| CLUSTER ID | 1574 |
| NODE ID | 1291 |
| NAME | (1S,2S,4aR,6S,8-S,8aS,3′S,5′R,2′′S)-methyl 1,2,4a,5,6,7,8,8a-octahydro-3′,5′-dihydroxy-2,6-dimethyl-8-[(2-methyl-1-oxobutyl)oxy]-1-naphthaleneheptanoate |
| FORMULA | C25H40O6 |
| MOLECULAR WEIGHT (Da) | 436.5890 |
| ACCURATE MASS (Da) | 436.2825 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Monascus |
| ORIGIN SPECIES | purpureus |
| InChIKey | VMFMWORUCARLEW-PNFAOAAFSA-N |
| InChI | InChI=1S/C25H40O6/c1-6-16(3)25(29)31-22-12-15(2)11-18-8-7-17(4)21(24(18)22)10-9-19(26)13-20(27)14-23(28)30-5/h7-8,11,15-17,19-22,24,26-27H,6,9-10,12-14H2,1-5H3/t15-,16-,17-,19+,20+,21-,22-,24-/m0/s1 |
| SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OC)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhu, Lin; Yau, Lee-Fong; Lu, Jing-Guang; Zhu, Guo-Yuan; Wang, Jing-Rong; Han, Quan-Bin; Hsiao, Wen-Luan; Jiang, Zhi-Hong Cytotoxic dehydromonacolins from red yeast rice Journal of Agricultural and Food Chemistry 2012 60 (4) 934-939. | ||
|---|---|---|---|
| DOI | 10.1021/jf203579f | PMID | 22224625 |
