Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020024
PROPERTIES
| NPAID | NPA020024 |
|---|---|
| CLUSTER ID | 6374 |
| NODE ID | 4413 |
| NAME | Boromycin |
| FORMULA | C45H73BNO15- |
| MOLECULAR WEIGHT (Da) | 878.8830 |
| ACCURATE MASS (Da) | 878.5079 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | antibioticus |
| InChIKey | OOBFYEMEQCZLJL-WIHWYPJVSA-N |
| InChI | InChI=1S/C45H73BNO15/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45/h11-12,24-38,48-49H,13-23,47H2,1-10H3/q-1/b12-11-/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36?,37?,38+,44+,45+,46?/m1/s1 |
| SMILES | [B-]123O[C@H]4C(=O)O[C@H]5C[C@@H](CCC[C@H](C([C@@H]6CC[C@H]([C@@](O1)(O6)C(O2)C(=O)O[C@@H](C/C=C\CC[C@@H](C([C@@H]7CC[C@H]([C@@]4(O3)O7)C)(C)C)O)[C@@H](C)OC(=O)C(C(C)C)N)C)(C)C)O)O[C@@H]5C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dunitz JD; Hawley DM; Miklos D; White DN; Berlin Y; Marusić R; Prelog V Structure of boromycin Helvetica Chimica Acta 1971 54 (6) 1709-13. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19710540624 | PMID | 5131791 |
SYNTHESES
| CITATION 1 | Avery MA; Choudhry SC; Dhingra OP; Gray BD; Kang MC; Kuo SC; Vedananda TR; White JD; Whittle AJ Total synthesis of macrodiolide ionophores aplasmomycin A and boromycin via double ring contraction. Organic & Biomolecular Chemistry 2014 12 (45) 9116-32. DOI: 10.1039/c4ob01017e PMID: 25096282 | ||
|---|---|---|---|
