Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000850798 | Gold | 1!CCMSLIB00000850801 |
COMPOUND NPA018533
PROPERTIES
| NPAID | NPA018533 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | Fumitremorgin A |
| FORMULA | C32H41N3O7 |
| MOLECULAR WEIGHT (Da) | 579.6940 |
| ACCURATE MASS (Da) | 579.2945 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | ACGHJVZDNQZJOV-BMOJZYMJSA-N |
| InChI | InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1 |
| SMILES | CC(=CCO[C@H]1C2=C3[C@H](CC(OO[C@@H](N3C4=C2C=CC(=C4)OC)C=C(C)C)(C)C)N5[C@@]1(C(=O)N6CCC[C@H]6C5=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Eickman, Nancy; Clardy, Jon; Cole, RJ; Kirksey, Jerry W The structure of fumitremorgin A Tetrahedron Letters 1975 16 (12) 1051-1054. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)72642-6 | PMID | - |
SYNTHESES
| CITATION 1 | Feng Y; Holte D; Zoller J; Umemiya S; Simke LR; Baran PS Total Synthesis of Verruculogen and Fumitremorgin A Enabled by Ligand-Controlled C-H Borylation. Journal of the American Chemical Society 2015 137 (32) 10160-3. DOI: 10.1021/jacs.5b07154 PMID: 26256033 | ||
|---|---|---|---|
