Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030050
PROPERTIES
| NPAID | NPA030050 |
|---|---|
| CLUSTER ID | 2027 |
| NODE ID | 1624 |
| NAME | Cocosolide |
| FORMULA | C46H76O16 |
| MOLECULAR WEIGHT (Da) | 885.0980 |
| ACCURATE MASS (Da) | 884.5133 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. |
| InChIKey | UZEBHYHXOFOAPB-FITCGFMWSA-N |
| InChI | InChI=1S/C46H76O16/c1-11-23-13-27(23)29-15-25-17-33(61-43-39(49)41(53-9)31(51-7)21-55-43)45(3,4)36(57-25)20-38(48)60-30(28-14-24(28)12-2)16-26-18-34(46(5,6)35(58-26)19-37(47)59-29)62-44-40(50)42(54-10)32(52-8)22-56-44/h23-36,39-44,49-50H,11-22H2,1-10H3/t23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,39-,40-,41+,42+,43+,44+/m1/s1 |
| SMILES | CC[C@@H]1C[C@H]1[C@@H]1C[C@@H]2C[C@H](O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3O)C(C)(C)[C@H](CC(=O)O[C@H]([C@@H]3C[C@H]3CC)C[C@@H]3C[C@H](O[C@@H]4OC[C@@H](OC)[C@H](OC)[C@H]4O)C(C)(C)[C@H](CC(=O)O1)O3)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gunasekera, SP; Li, Y; Ratnayake, R; Luo, D; Lo, J; Reibenspies, JH; Xu, Z; Clare-Salzler, MJ; Ye, T; Paul, VJ; Luesch, H Discovery, Total Synthesis and Key Structural Elements for the Immunosuppressive Activity of Cocosolide, a Symmetrical Glycosylated Macrolide Dimer from Marine Cyanobacteria. Chemistry - A European Journal 2016 22 (24) 8158-8166. | ||
|---|---|---|---|
| DOI | 10.1002/chem.201600674 | PMID | 27139508 |
