Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020401
PROPERTIES
| NPAID | NPA020401 |
|---|---|
| CLUSTER ID | 1926 |
| NODE ID | 1551 |
| NAME | Ambruticin |
| FORMULA | C28H42O6 |
| MOLECULAR WEIGHT (Da) | 474.6380 |
| ACCURATE MASS (Da) | 474.2981 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Polyangium |
| ORIGIN SPECIES | cellulosum var. firlvum |
| InChIKey | TYIXBSJXUFTELJ-LQJOTGEPSA-N |
| InChI | InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+/t16-,19-,20+,21+,22+,23+,24-,25-,26+,28-/m1/s1 |
| SMILES | CC[C@@H]1C(=CC[C@@H](O1)/C(=C/[C@H](C)/C=C/[C@H]2[C@H]([C@@H]2/C=C/[C@H]3[C@@H]([C@H](C[C@H](O3)CC(=O)O)O)O)C)/C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | RINGEL, SM; GREENOUGH, RC; ROEMER, S; CONNOR, D; GUTT, AL; BLAIR, B; KANTER, G; VON STRANDTMANN, M AMBRUTICIN (W7783), A NEW ANTIFUNGAL ANTIBIOTIC Journal of Antibiotics 1977 30 (5) 371-375. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.30.371 | PMID | 407203 |
SYNTHESES
| CITATION 1 | Liu P; Jacobsen EN Total synthesis of (+)-ambruticin. Journal of the American Chemical Society 2001 123 (43) 10772-3. DOI: 10.1021/ja016893s PMID: 11674024 | ||
|---|---|---|---|
| CITATION 2 | . DOI: | ||
