Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000162
PROPERTIES
| NPAID | NPA000162 |
|---|---|
| CLUSTER ID | 135 |
| NODE ID | 129 |
| NAME | Penicillactone B |
| FORMULA | C27H32O11 |
| MOLECULAR WEIGHT (Da) | 532.5420 |
| ACCURATE MASS (Da) | 532.1945 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | dangeardii pitt |
| InChIKey | LLFGYHCHFVKDSD-MAPPONMRSA-N |
| InChI | InChI=1S/C27H32O11/c1-3-4-5-6-8-16-11-17(22(31)36-16)26(24(33)35-2)12-15(21(30)19-9-7-10-20(29)37-19)13-27(26)18(14-28)23(32)38-25(27)34/h7,10-11,14-16,19,21,28,30H,3-6,8-9,12-13H2,1-2H3/b18-14+/t15-,16+,19+,21+,26+,27-/m1/s1 |
| SMILES | CCCCCC[C@H]1C=C(C(=O)O1)[C@@]2(C[C@H](C[C@]23/C(=C/O)/C(=O)OC3=O)[C@@H]([C@@H]4CC=CC(=O)O4)O)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Yunbao; Ding, Guangzhi; Li, Yong; Qu, Jing; Ma, Shuanggang; Lv, Haining; Liu, Yang; Wang, Wenjie; Dai, Jungui; Tang, Yi; Yu, Shishan Structures and absolute configurations of penicillactones A-C from an endophytic microorganism, Penicillium dangeardii pitt Organic Letters 2013 15 (20) 5206-5209. | ||
|---|---|---|---|
| DOI | 10.1021/ol4023485 | PMID | 24093807 |
