Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00008851473 | Gold | 3 |
| CCMSLIB00008851474 | Gold | 3 |
COMPOUND NPA003282
PROPERTIES
| NPAID | NPA003282 |
|---|---|
| CLUSTER ID | 790 |
| NODE ID | 685 |
| NAME | Tiacumicin B |
| FORMULA | C52H74Cl2O18 |
| MOLECULAR WEIGHT (Da) | 1058.0520 |
| ACCURATE MASS (Da) | 1056.4252 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Dactylosporangium |
| ORIGIN SPECIES | aurantiacum |
| InChIKey | ZVGNESXIJDCBKN-UUEYKCAUSA-N |
| InChI | InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1 |
| SMILES | CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hochlowski, J E; Swanson, S J; Ranfranz, L M; Whittern, D N; Buko, A M; McAlpine, J B Tiacumicins, a novel complex of 18-membered macrolides. II. Isolation and structure determination Journal of Antibiotics 1987 40 (5) 575-588. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.40.575 | PMID | 3610816 |
