Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001689
PROPERTIES
| NPAID | NPA001689 |
|---|---|
| CLUSTER ID | 1082 |
| NODE ID | 931 |
| NAME | Peniciketal C |
| FORMULA | C29H34O9 |
| MOLECULAR WEIGHT (Da) | 526.5820 |
| ACCURATE MASS (Da) | 526.2203 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | raistrichii |
| InChIKey | NUCZGDGTIQYQGH-GBTHESLLSA-N |
| InChI | InChI=1S/C29H34O9/c1-13-5-18-9-28(35-13,8-17-7-22(32)15(3)24(33)21(17)12-30)37-26-16(4)25(34)27-20(23(18)26)11-29(38-27)10-19(31)6-14(2)36-29/h7,12-14,18-19,31-34H,5-6,8-11H2,1-4H3/t13-,14-,18-,19-,28-,29+/m0/s1 |
| SMILES | C[C@H]1C[C@H]2C[C@@](O1)(OC3=C(C(=C4C(=C23)C[C@]5(O4)C[C@H](C[C@@H](O5)C)O)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 |
