Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018191
PROPERTIES
| NPAID | NPA018191 |
|---|---|
| CLUSTER ID | 3707 |
| NODE ID | 2788 |
| NAME | Pestaloquinol A |
| FORMULA | C38H52O10 |
| MOLECULAR WEIGHT (Da) | 668.8240 |
| ACCURATE MASS (Da) | 668.3560 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotiopsis |
| ORIGIN SPECIES | sp. |
| InChIKey | QOGRHXMXZZVQKH-GYNGZHTOSA-N |
| InChI | InChI=1S/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19-,20+,21+,22+,23-,26-,29+,30+,31+,32+,33+,36-,37-,38-/m1/s1 |
| SMILES | CCCCC[C@@H]1[C@H]2[C@H]3[C@@H](OC=C4[C@]3([C@@H](O1)C5=C2C(=O)[C@H]6[C@@]7([C@H]5OC([C@H](C7)O)(C)C)O6)C(=O)[C@H]8[C@@]9([C@H]4OC([C@H](C9)O)(C)C)O8)CCCCC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ding, Gang; Zhang, Fan; Chen, Hong; Guo, Liangdong; Zou, Zhongmei; Che, Yongsheng Pestaloquinols A and B, isoprenylated epoxyquinols from Pestalotiopsis sp Journal of Natural Products 2011 74 (2) 286-291. | ||
|---|---|---|---|
| DOI | 10.1021/np100723t | PMID | 21302965 |
