Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001664 | Gold | 1 |
| CCMSLIB00000001768 | Gold | 1 |
COMPOUND NPA024736
PROPERTIES
| NPAID | NPA024736 |
|---|---|
| CLUSTER ID | 7545 |
| NODE ID | 2882 |
| NAME | Bastimolide A |
| FORMULA | C44H84O11 |
| MOLECULAR WEIGHT (Da) | 789.1450 |
| ACCURATE MASS (Da) | 788.6014 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | hirsuta |
| InChIKey | GMYBARKHHWBGAC-LHLJFWNOSA-N |
| InChI | InChI=1S/C44H84O11/c1-32-14-6-5-7-15-37(49)29-38(50)24-10-20-35(47)22-12-26-40(52)31-41(53)30-39(51)25-11-21-34(46)18-8-16-33(45)17-9-19-36(48)23-13-27-42(44(2,3)4)55-43(54)28-32/h28,33-42,45-53H,5-27,29-31H2,1-4H3/t33-,34+,35+,36-,37+,38-,39-,40-,41-,42+/m1/s1 |
| SMILES | CC1=CC(=O)O[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@@H](CCC[C@H](C[C@H](C[C@@H](CCC[C@H](CCC[C@H](C[C@H](CCCCC1)O)O)O)O)O)O)O)O)O)C(C)(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shao CL; Linington RG; Balunas MJ; Centeno A; Boudreau P; Zhang C; Engene N; Spadafora C; Mutka TS; Kyle DE; Gerwick L; Wang CY; Gerwick WH Bastimolide A, a Potent Antimalarial Polyhydroxy Macrolide from the Marine Cyanobacterium Okeania hirsuta. Journal of Organic Chemistry 2015 80 (16) 7849-7855. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.5b01264 | PMID | 26222145 |
