Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001762 | Gold | 1 |
| CCMSLIB00000001763 | Gold | 1 |
COMPOUND NPA022542
PROPERTIES
| NPAID | NPA022542 |
|---|---|
| CLUSTER ID | 6938 |
| NODE ID | 2882 |
| NAME | Bastimolide B |
| FORMULA | C44H84O11 |
| MOLECULAR WEIGHT (Da) | 789.1450 |
| ACCURATE MASS (Da) | 788.6014 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | hirsute |
| InChIKey | SBOIIYFHQBOEPC-IFYMMUEESA-N |
| InChI | InChI=1S/C44H84O11/c1-32-14-6-5-7-15-37(49)29-38(50)24-10-20-34(46)21-11-25-39(51)30-40(52)31-41(55-43(54)28-32)26-12-22-35(47)18-8-16-33(45)17-9-19-36(48)23-13-27-42(53)44(2,3)4/h28,33-42,45-53H,5-27,29-31H2,1-4H3/b32-28-/t33-,34+,35+,36-,37+,38-,39-,40+,41-,42+/m1/s1 |
| SMILES | C/C/1=C/C(=O)O[C@@H](C[C@H](C[C@@H](CCC[C@H](CCC[C@H](C[C@H](CCCCC1)O)O)O)O)O)CCC[C@H](CCC[C@H](CCC[C@H](CCC[C@@H](C(C)(C)C)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shao, Chang-Lun; Mou, Xiao-Feng; Cao, Fei; Spadafora, Carmenza; Glukhov, Evgenia; Gerwick, Lena; Wang, Chang-Yun; Gerwick, William H. Bastimolide B, an Antimalarial 24-Membered Marine Macrolide Possessing a tert-Butyl Group Journal of Natural Products 2018 81 (1) 211-215. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00917 | PMID | 29327931 |
