Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727308 | Gold | 3 |
| CCMSLIB00005727413 | Gold | 3 |
| CCMSLIB00005727797 | Gold | 3 |
| CCMSLIB00005727546 | Gold | 3 |
| CCMSLIB00005727446 | Gold | 3 |
| CCMSLIB00012163527 | Gold | 4 |
| CCMSLIB00010003324 | Gold | 4 |
| CCMSLIB00006675751 | Gold | 3 |
COMPOUND NPA020331
PROPERTIES
| NPAID | NPA020331 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | Verruculogen |
| FORMULA | C27H33N3O7 |
| MOLECULAR WEIGHT (Da) | 511.5750 |
| ACCURATE MASS (Da) | 511.2319 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | verruculosum |
| InChIKey | LRXYHMMJJCTUMY-GWXUGYLUSA-N |
| InChI | InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1 |
| SMILES | CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fayos, J; Lokensgard, D; Clardy, J; Cole, RJ; Kirksey, JW Structure of verruculogen, a tremor producing peroxide from Penicillium verruculosum Journal of the American Chemical Society 1974 96 (21) 6785-6787. | ||
|---|---|---|---|
| DOI | 10.1021/ja00828a054 | PMID | 4414411 |
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 | ||
|---|---|---|---|
