Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727532 | Gold | 3 |
| CCMSLIB00005727217 | Gold | 3 |
| CCMSLIB00005727949 | Gold | 3 |
| CCMSLIB00005727066 | Gold | 3 |
| CCMSLIB00005727395 | Gold | 3 |
COMPOUND NPA003674
PROPERTIES
| NPAID | NPA003674 |
|---|---|
| CLUSTER ID | 193 |
| NODE ID | 181 |
| NAME | Brevianamide A |
| FORMULA | C21H23N3O3 |
| MOLECULAR WEIGHT (Da) | 365.4330 |
| ACCURATE MASS (Da) | 365.1739 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chaetomium |
| ORIGIN SPECIES | sp. |
| InChIKey | MWOFPQAPILIIPR-DJJZHVJBSA-N |
| InChI | InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21-/m0/s1 |
| SMILES | CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@@]12NC1=CC=CC=C1C2=O)NC4=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Birch, AJ; Wright, JJ The brevianamides: a new class of fungal alkaloid Journal of the Chemical Society D: Chemical Communications 1969 (12) 644b-645. | ||
|---|---|---|---|
| DOI | 10.1039/c2969000644b | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1(C2CC34CCCN3C(=O)C2(CC15C(=O)C6=CC=CC=C6N5)NC4=O)C | Birch, AJ; Wright, JJ The brevianamides: a new class of fungal alkaloid Journal of the Chemical Society D: Chemical Communications 1969 (12) 644b-645. DOI: 10.1039/c2969000644b | ||
| 2 | CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@@]12NC1=CC=CC=C1C2=O)NC4=O | Mansour, Ali; Gagosz, Fabien Expedited Total Synthesis of (±)-Brevianamide A via the Strategic Use of Gold(I) Catalysis. Organic Letters 2022 24 (39) 7200-7204. DOI: 10.1021/acs.orglett.2c02971 PMID: 36170661 | ||
