Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014587
PROPERTIES
| NPAID | NPA014587 |
|---|---|
| CLUSTER ID | 1082 |
| NODE ID | 931 |
| NAME | Peniciketal A |
| FORMULA | C30H36O9 |
| MOLECULAR WEIGHT (Da) | 540.6090 |
| ACCURATE MASS (Da) | 540.2359 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | raistrichii |
| InChIKey | XJSZZGGNICLMGO-MIUBVJRRSA-N |
| InChI | InChI=1S/C30H36O9/c1-14-5-19-9-30(38-14,8-18-7-24(33)16(3)26(34)22(18)12-31)39-28-17(4)27(35)23-13-36-29(11-21(23)25(19)28)10-20(32)6-15(2)37-29/h7,12,14-15,19-20,32-35H,5-6,8-11,13H2,1-4H3/t14-,15-,19-,20-,29-,30-/m0/s1 |
| SMILES | C[C@H]1C[C@H]2C[C@@](O1)(OC3=C(C(=C4CO[C@]5(C[C@H](C[C@@H](O5)C)O)CC4=C23)O)C)CC6=CC(=C(C(=C6C=O)O)C)O |
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 |
