Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029923
PROPERTIES
| NPAID | NPA029923 |
|---|---|
| CLUSTER ID | 8789 |
| NODE ID | 5931 |
| NAME | (–)-pestaloxazine A |
| FORMULA | C22H32N4O8 |
| MOLECULAR WEIGHT (Da) | 480.5180 |
| ACCURATE MASS (Da) | 480.2220 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | ULBZDTAPWSWKLY-LULYSUNASA-N |
| InChI | InChI=1S/C22H32N4O8/c1-15(5-11-27)13-17(29)25-9-3-7-21(33-25)19(31)24-22(20(32)23-21)8-4-10-26(34-22)18(30)14-16(2)6-12-28/h13-14,27-28H,3-12H2,1-2H3,(H,23,32)(H,24,31)/b15-13+,16-14+/t21-,22-/m0/s1 |
| SMILES | C/C(=C\C(=O)N1CCC[C@]2(NC(=O)[C@@]3(CCCN(C(=O)/C=C(\C)CCO)O3)NC2=O)O1)CCO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jia, YL; Wei, MY; Chen, HY; Guan, FF; Wang, CY; Shao, CL (+)- and (-)-Pestaloxazine A, a Pair of Antiviral Enantiomeric Alkaloid Dimers with a Symmetric Spiro[oxazinane-piperazinedione] Skeleton from Pestalotiopsis sp. Organic Letters 2015 17 (17) 4216-4219. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b01995 | PMID | 26291636 |
