Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019652
PROPERTIES
| NPAID | NPA019652 |
|---|---|
| CLUSTER ID | 5981 |
| NODE ID | 1185 |
| NAME | Chloropupukeananin |
| FORMULA | C33H35ClO11 |
| MOLECULAR WEIGHT (Da) | 643.0850 |
| ACCURATE MASS (Da) | 642.1868 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | fici |
| InChIKey | MEGLUXFWKWGEGT-BYNRCSGHSA-N |
| InChI | InChI=1S/C33H35ClO11/c1-15(2)7-8-31-24(44-26(38)23-19(35)9-16(3)10-20(23)36)17(11-21(37)25(31)45-31)18-12-29(4)14-30(28(40)43-6)13-22(42-5)33(29,34)32(18,41)27(30)39/h7,9-13,21,24-25,35-37,41H,8,14H2,1-6H3/t21-,24+,25-,29-,30+,31+,32-,33-/m0/s1 |
| SMILES | CC1=CC(=C(C(=C1)O)C(=O)O[C@@H]2C(=C[C@@H]([C@H]3[C@@]2(O3)CC=C(C)C)O)C4=C[C@]5(C[C@@]6(C=C([C@]5([C@]4(C6=O)O)Cl)OC)C(=O)OC)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu L; Liu S; Jiang L; Chen X; Guo L; Che Y Chloropupukeananin, the first chlorinated pupukeanane derivative, and its precursors from Pestalotiopsis fici. Organic Letters 2008 10 (7) 1397-1400. | ||
|---|---|---|---|
| DOI | 10.1021/ol800136t | PMID | 18314997 |
