Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004685748 | Bronze | (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic&acid |
| CCMSLIB00004685749 | Bronze | (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic&acid |
| CCMSLIB00004685750 | Bronze | (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic&acid |
| CCMSLIB00004685747 | Bronze | (3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic&acid |
| CCMSLIB00000849268 | Gold | 1!CCMSLIB00000849271 |
| CCMSLIB00012128647 | Gold | 4 |
| CCMSLIB00012128648 | Gold | 4 |
| CCMSLIB00012128649 | Gold | 4 |
| CCMSLIB00009968444 | Gold | 4 |
| CCMSLIB00009968445 | Gold | 4 |
| CCMSLIB00009968446 | Gold | 4 |
COMPOUND NPA018102
PROPERTIES
| NPAID | NPA018102 |
|---|---|
| CLUSTER ID | 1574 |
| NODE ID | 1291 |
| NAME | Compactin |
| FORMULA | C23H36O6 |
| MOLECULAR WEIGHT (Da) | 408.5350 |
| ACCURATE MASS (Da) | 408.2512 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Eupenicillium |
| ORIGIN SPECIES | javanicum |
| InChIKey | BOZILQFLQYBIIY-INTXDZFKSA-N |
| InChI | InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,20-,22-/m0/s1 |
| SMILES | CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brown, Allan G; Smale, Terry C; King, Trevor J; Hasenkamp, Rainer; Thompson, Ronald H Crystal and molecular structure of compactin, a new antifungal metabolite from Penicillium brevicompactum Journal of the Chemical Society, Perkin Transactions 1 1976 (11) 1165-1170. | ||
|---|---|---|---|
| DOI | 10.1039/p19760001165 | PMID | - |
SYNTHESES
| CITATION 1 | Heathcock CH; Hadley CR; Rosen T; Theisen PD; Hecker SJ Total synthesis and biological evaluation of structural analogues of compactin and dihydromevinolin. Journal of Medicinal Chemistry 1987 30 (10) 1858-73. DOI: 10.1021/jm00393a030 PMID: 3656359 | ||
|---|---|---|---|
| CITATION 2 | Grieco PA; Lis R; Zelle RE; Finn J Convergent, enantiospecific total synthesis of the hypocholesterolemic agent (+)-compactin. Journal of the American Chemical Society 1986 108 (19) 5908-19. DOI: 10.1021/ja00279a041 PMID: 22175349 | ||
