Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025677
PROPERTIES
| NPAID | NPA025677 |
|---|---|
| CLUSTER ID | 7765 |
| NODE ID | 5293 |
| NAME | Bipolarolide B |
| FORMULA | C25H36O4 |
| MOLECULAR WEIGHT (Da) | 400.5590 |
| ACCURATE MASS (Da) | 400.2614 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Bipolaris |
| ORIGIN SPECIES | sp. TJ403-B1 |
| InChIKey | LHLGFPJZAWXXIN-RGKUMLFLSA-N |
| InChI | InChI=1S/C25H36O4/c1-15(12-26)6-5-7-16(2)18-10-20-22(3)11-19-21-17(13-27)8-9-24(18,22)25(21,28)14-23(19,4)29-20/h6,8,10,16,19-21,26-28H,5,7,9,11-14H2,1-4H3/t16-,19-,20-,21+,22-,23+,24+,25+/m0/s1 |
| SMILES | CC(=CCC[C@H](C)C1=C[C@@H]2O[C@]3(C)C[C@@]4(O)[C@@H]5C(CO)=CC[C@]14[C@@]2(C)C[C@@H]53)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Mengting; Sun, Weiguang; Shen, Ling; He, Yan; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui Bipolarolides A–G: Ophiobolin-Derived Sesterterpenes with Three New Carbon Skeletons from Bipolaris sp. TJ403-B1 Angewandte Chemie International Edition 2019 58 (35) 12091-12095. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201905966 | PMID | 31254370 |
