Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007124
PROPERTIES
| NPAID | NPA007124 |
|---|---|
| CLUSTER ID | 3214 |
| NODE ID | 2444 |
| NAME | 12-Acetoxy-13-epi-neoverrucosan-5-one |
| FORMULA | C21H25BrO5 |
| MOLECULAR WEIGHT (Da) | 437.3300 |
| ACCURATE MASS (Da) | 436.0885 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hamigera |
| ORIGIN SPECIES | tarangaensis |
| InChIKey | HEZKMHDIQHFUBS-PCMMCCAGSA-N |
| InChI | InChI=1S/C21H25BrO5/c1-10-8-12-15(18(25)17(10)22)19(26)20(3,4)13-6-7-21(5,16(12)13)14(24)9-27-11(2)23/h8,13,16,25H,6-7,9H2,1-5H3/t13-,16-,21-/m0/s1 |
| SMILES | CC1=C(C(=C2C(=C1)[C@H]3[C@H](CC[C@@]3(C)C(=O)COC(=O)C)C(C2=O)(C)C)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 |
