Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000686
PROPERTIES
| NPAID | NPA000686 |
|---|---|
| CLUSTER ID | 283 |
| NODE ID | 257 |
| NAME | Oscillarin |
| FORMULA | C34H44N6O5 |
| MOLECULAR WEIGHT (Da) | 616.7630 |
| ACCURATE MASS (Da) | 616.3373 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Oscillatoria |
| ORIGIN SPECIES | agardhii |
| InChIKey | YNAKQOCSOOKXJP-VCNFNBSBSA-N |
| InChI | InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25-,26+,27+,28-,29-,30+/m0/s1 |
| SMILES | N=C(N)N1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H](O)C[C@@H]3N2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](O)CC2=CC=CC=C2)C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hanessian, Stephen; Tremblay, Martin; Petersen, Jens F W The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin Journal of the American Chemical Society 2004 126 (19) 6064-6071. | ||
|---|---|---|---|
| DOI | 10.1021/ja030669g | PMID | 15137772 |
SYNTHESES
| CITATION 1 | Hanessian, Stephen; Tremblay, Martin; Petersen, Jens F W The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin Journal of the American Chemical Society 2004 126 (19) 6064-6071. DOI: 10.1021/ja030669g PMID: 15137772 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1CC(CC2C1C[C@H](N2C(=O)C(CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=CC=C4)O)C(=O)NCCC5=CCN(C5)C(=N)N)O | Hanessian, Stephen; Tremblay, Martin; Petersen, Jens F W The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin Journal of the American Chemical Society 2004 126 (19) 6064-6071. DOI: 10.1021/ja030669g PMID: 15137772 | ||
| 2 | N=C(N)N1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H](O)C[C@@H]3N2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](O)CC2=CC=CC=C2)C1 | Hanessian, Stephen; Tremblay, Martin; Petersen, Jens F W The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin Journal of the American Chemical Society 2004 126 (19) 6064-6071. DOI: 10.1021/ja030669g PMID: 15137772 | ||
