Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022062
PROPERTIES
| NPAID | NPA022062 |
|---|---|
| CLUSTER ID | 6814 |
| NODE ID | 4711 |
| NAME | Chlorotheolide A |
| FORMULA | C30H35ClO11 |
| MOLECULAR WEIGHT (Da) | 607.0520 |
| ACCURATE MASS (Da) | 606.1868 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | theae N635 |
| InChIKey | BFLCOAQRRKCNJI-PBIKNJLJSA-N |
| InChI | InChI=1S/C30H35ClO11/c1-6-7-8-9-10-11-18-15-40-29(36)28(31)21(37-3)14-26(24(34)38-4,16-27(18,28)25(35)39-5)30(29)41-20-13-17(2)12-19(32)22(20)23(33)42-30/h12-15,32,36H,6-11,16H2,1-5H3/t26-,27+,28-,29-,30+/m0/s1 |
| SMILES | CCCCCCCC1=CO[C@]2([C@]3([C@@]1(C[C@@]([C@]24OC5=C(C(=CC(=C5)C)O)C(=O)O4)(C=C3OC)C(=O)OC)C(=O)OC)Cl)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Ling; Han, Yu; Xiao, Junhai; Li, Li; Guo, Liangdong; Jiang, Xuejun; Kong, Lingyi; Che, Yongsheng Chlorotheolides A and B, spiroketals generated via Diels-Alder reactions in the endophytic fungus pestalotiopsis theae Journal of Natural Products 2016 79 (10) 2616-2623. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00550 | PMID | 27731995 |
