Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
WARNING - This compound is excluded from the NP Atlas. The information displayed is for reference only.
Reason: Reassigned to another compound
Citation: Brown, Susan G; Jansma, Matthew J; Hoye, Thomas R Case study of empirical and computational chemical shift analyses: reassignment of the relative configuration of phomopsichalasin to that of diaporthichalasin. Journal of Natural Products 2012 75 (7) 1326-31. DOI: 10.1021/np300248w
Revised NPAID: NPA020002
COMPOUND NPA002489
PROPERTIES
| NPAID | NPA002489 |
|---|---|
| CLUSTER ID | None |
| NODE ID | None |
| NAME | Phomopsichalasin |
| FORMULA | C32H41NO4 |
| MOLECULAR WEIGHT (Da) | 503.6830 |
| ACCURATE MASS (Da) | 503.3036 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phomopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | AEKBQYOSHUYACR-AHWJCDHHSA-N |
| InChI | InChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20+,23-,24-,25+,26-,29-,30+,31+,32-/m0/s1 |
| SMILES | C[C@H]1CC[C@H]2[C@H]3[C@@H](C(=C[C@@]2(C1)C)C)[C@]4(C=C([C@H]([C@@H]5[C@]4(C3=O)C(=O)N[C@]5(CC6=CC=C(C=C6)O)O)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Horn, W.S.; Simmonds, M.S.J.; Schwartz, R.E.; Blaney, W.M. Phomopsichalasin, a novel antimicrobial agent from an endophytic Phomopsis sp Tetrahedron 1995 51 (14) 3969-3978. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(95)00139-y | PMID | - |
