Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012622
PROPERTIES
| NPAID | NPA012622 |
|---|---|
| CLUSTER ID | 1506 |
| NODE ID | 1238 |
| NAME | 4-bromohamigeran K |
| FORMULA | C18H22Br2O3 |
| MOLECULAR WEIGHT (Da) | 446.1790 |
| ACCURATE MASS (Da) | 443.9936 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hamigera |
| ORIGIN SPECIES | tarangaensis |
| InChIKey | GUPRBKUOJAPSTB-RPXDRHDISA-N |
| InChI | InChI=1S/C18H22Br2O3/c1-7(2)9-5-6-18(4)12(9)10-11(16(22)17(18)23)15(21)14(20)8(3)13(10)19/h7,9,12,17,21,23H,5-6H2,1-4H3/t9-,12-,17-,18-/m1/s1 |
| SMILES | CC1=C(C2=C(C(=O)[C@H]([C@]3([C@@H]2[C@H](CC3)C(C)C)C)O)C(=C1Br)O)Br |
ORIGINAL ISOLATION REFERENCE
| CITATION | Singh, A Jonathan; Dattelbaum, Jonathan D; Field, Jessica J; Smart, Zlatka; Woolly, Ethan F; Barber, Jacqueline M; Heathcott, Rosemary; Miller, John H; Northcote, Peter T Structurally diverse hamigerans from the New Zealand marine sponge Hamigera tarangaensis: NMR-directed isolation, structure elucidation and antifungal activity Organic & Biomolecular Chemistry 2013 11 (46) 8041-8051. | ||
|---|---|---|---|
| DOI | 10.1039/c3ob41305e | PMID | 23925673 |
