Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003104
PROPERTIES
| NPAID | NPA003104 |
|---|---|
| CLUSTER ID | 1764 |
| NODE ID | 650 |
| NAME | Dihydrosetoclavine |
| FORMULA | C16H20N2O |
| MOLECULAR WEIGHT (Da) | 256.3490 |
| ACCURATE MASS (Da) | 256.1576 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Claviceps |
| ORIGIN SPECIES | paspali |
| InChIKey | PYBBWVXSIFAQEZ-XPKDYRNWSA-N |
| InChI | InChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14-,16+/m1/s1 |
| SMILES | C[C@@]1(C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tscherter, H; Hauth, H Three new ergot alkaloids from saprophytic culture of Claviceps paspali Stevens et Hall Helvetica Chimica Acta 1974 57 (1) 113-121. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19740570111 | PMID | 4219404 |
SYNTHESES
| CITATION 1 | Liu H; Zhang X; Shan D; Pitchakuntla M; Ma Y; Jia Y Total Syntheses of Festuclavine, Pyroclavine, Costaclavine, epi-Costaclavine, Pibocin A, 9-Deacetoxyfumigaclavine C, Fumigaclavine G, and Dihydrosetoclavine. Organic Letters 2017 19 (12) 3323-3326. DOI: 10.1021/acs.orglett.7b01504 PMID: 28593757 | ||
|---|---|---|---|
