Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019169
PROPERTIES
| NPAID | NPA019169 |
|---|---|
| CLUSTER ID | 4544 |
| NODE ID | 3325 |
| NAME | Elansolid B1 |
| FORMULA | C37H50O7 |
| MOLECULAR WEIGHT (Da) | 606.8000 |
| ACCURATE MASS (Da) | 606.3557 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chitinophaga |
| ORIGIN SPECIES | sancti |
| InChIKey | FSKQADSFEYMILN-ASPIWXRWSA-N |
| InChI | InChI=1S/C37H50O7/c1-23(14-20-32(41)42)13-19-31(40)25(3)30(39)12-10-8-7-9-11-28-24(2)21-29-34(36(4,5)22-37(29,6)44)33(28)35(43)26-15-17-27(38)18-16-26/h7-18,20-21,25,28-31,33-35,38-40,43-44H,19,22H2,1-6H3,(H,41,42)/t25-,28-,29+,30-,31-,33-,34-,35+,37+/m0/s1 |
| SMILES | CC(C=CC(=O)O)=CC[C@H](O)[C@@H](C)[C@@H](O)C=CC=CC=C[C@H]1C(C)=C[C@@H]2[C@@H]([C@H]1[C@H](O)C1=CC=C(O)C=C1)C(C)(C)C[C@@]2(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dehn, Richard; Katsuyama, Yohei; Weber, Arne; Gerth, Klaus; Jansen, Rolf; Steinmetz, Heinrich; Höfle, Gerhard; Müller, Rolf; Kirschning, Andreas Molecular basis of elansolid biosynthesis: evidence for an unprecedented quinone methide initiated intramolecular Diels-Alder cycloaddition/macrolactonization. Angewandte Chemie International Edition 2011 50 (17) 3882-3887. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201006880 | PMID | 21472917 |
SYNTHESES
| CITATION 1 | Weber A; Dehn R; Schläger N; Dieter B; Kirschning A Total synthesis of the antibiotic elansolid B1. Organic Letters 2014 16 (2) 568-571. DOI: 10.1021/ol403441c PMID: 24393030 | ||
|---|---|---|---|
