Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016796
PROPERTIES
| NPAID | NPA016796 |
|---|---|
| CLUSTER ID | 567 |
| NODE ID | 506 |
| NAME | N-methylwelwitindolinone C isothiocyanate |
| FORMULA | C22H21ClN2O2S |
| MOLECULAR WEIGHT (Da) | 412.9420 |
| ACCURATE MASS (Da) | 412.1012 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | welwitschii |
| InChIKey | ULCGNHFUBLOLRR-YLBNWIERSA-N |
| InChI | InChI=1S/C22H21ClN2O2S/c1-6-21(4)15(23)10-13-18(26)22(21,24-11-28)12-8-7-9-14-16(12)17(20(13,2)3)19(27)25(14)5/h6-10,13,17H,1H2,2-5H3/t13-,17+,21+,22+/m0/s1 |
| SMILES | C[C@]1(C(=C[C@H]2C(=O)[C@@]1(C3=C4[C@@H](C2(C)C)C(=O)N(C4=CC=C3)C)N=C=S)Cl)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moore, Richard E.;Yang, Xu-Qiang G ; Patterson, Gregory M. L. Fontonamide and Anhydrohapaloxindole A, Two New Alkaloids from the Blue-Green Alga Hapalosiphon fontinalis Journal of the American Chemical Society 1987 52 (17) 3773-3777. | ||
|---|---|---|---|
| DOI | 10.1021/jo00226a009 | PMID | - |
SYNTHESES
| CITATION 1 | Huters AD; Quasdorf KW; Styduhar ED; Garg NK Total synthesis of (-)-N-methylwelwitindolinone C isothiocyanate. Journal of the American Chemical Society 2011 133 (40) 15797-9. DOI: 10.1021/ja206538k PMID: 21819133 | ||
|---|---|---|---|
| CITATION 2 | Komine K; Nomura Y; Ishihara J; Hatakeyama S Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy. Organic Letters 2015 17 (15) 3918-21. DOI: 10.1021/acs.orglett.5b01952 PMID: 26214342 | ||
