Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016758
PROPERTIES
| NPAID | NPA016758 |
|---|---|
| CLUSTER ID | 1082 |
| NODE ID | 931 |
| NAME | Peniciketal B |
| FORMULA | C30H36O8 |
| MOLECULAR WEIGHT (Da) | 524.6100 |
| ACCURATE MASS (Da) | 524.2410 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | raistrichii |
| InChIKey | YVSJLSKPUTUIRQ-HEGMNWCLSA-N |
| InChI | InChI=1S/C30H36O8/c1-15-6-5-7-29(36-15)12-21-23(14-35-29)27(34)18(4)28-25(21)20-8-16(2)37-30(11-20,38-28)10-19-9-24(32)17(3)26(33)22(19)13-31/h9,13,15-16,20,32-34H,5-8,10-12,14H2,1-4H3/t15-,16-,20-,29-,30-/m0/s1 |
| SMILES | C[C@H]1CCC[C@]2(O1)CC3=C4[C@H]5C[C@@H](O[C@](C5)(OC4=C(C(=C3CO2)O)C)CC6=CC(=C(C(=C6C=O)O)C)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Wei-Zhong; Ma, Li-Ying; Liu, De-Sheng; Huang, Yu-Ling; Wang, Chun-Hua; Shi, Shou-Sen; Pan, Xiao-Hong; Song, Xiao-Dong; Zhu, Rong-Xiu Peniciketals A-C, new spiroketals from saline soil derived penicillium raistrichii Organic Letters 2014 16 (1) 90-93. | ||
|---|---|---|---|
| DOI | 10.1021/ol403076s | PMID | 24283621 |
