Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002364
PROPERTIES
| NPAID | NPA002364 |
|---|---|
| CLUSTER ID | 1417 |
| NODE ID | 1178 |
| NAME | Pestaloporonin B |
| FORMULA | C15H24O4 |
| MOLECULAR WEIGHT (Da) | 268.3530 |
| ACCURATE MASS (Da) | 268.1675 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | GNUIPQNBCVNGEM-CYHVGBIXSA-N |
| InChI | InChI=1S/C15H24O4/c1-13(2)5-10-9(7-16)4-12-14(3,8-17)6-11(18)15(10,13)19-12/h4,10-12,16-18H,5-8H2,1-3H3/t10-,11+,12+,14-,15-/m1/s1 |
| SMILES | CC1(C)C[C@@H]2C(CO)=C[C@@H]3O[C@@]21[C@@H](O)C[C@]3(C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hwang, In Hyun; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T. Pestaloporonins: Caryophyllene-Derived Sesquiterpenoids from a Fungicolous Isolate of Pestalotiopsis sp Organic Letters 2015 17 (17) 4284-4287. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.5b02080 | PMID | 26287562 |
