Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011132
PROPERTIES
| NPAID | NPA011132 |
|---|---|
| CLUSTER ID | 70 |
| NODE ID | 65 |
| NAME | 3-O-Acetyldehydroeburicoic acid |
| FORMULA | C31H46O6 |
| MOLECULAR WEIGHT (Da) | 514.7030 |
| ACCURATE MASS (Da) | 514.3294 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Poria |
| ORIGIN SPECIES | cocos |
| InChIKey | OPDCNCKCFNXEMG-BOCBPPTNSA-N |
| InChI | InChI=1S/C31H46O6/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(34)37-7)13-16-30(5)27(25(33)17-31(24,30)6)21(28(35)36)10-8-9-20(3)18-32/h9,12-13,21-22,25,27,32-33H,1,8,10-11,14-18H2,2-7H3,(H,35,36)/b20-9-/t21?,22?,25-,27+,29+,30-,31+/m1/s1 |
| SMILES | CC(=C)C1CC=C2C(=CC[C@]3([C@]2(C[C@H]([C@@H]3C(CC/C=C(/C)\CO)C(=O)O)O)C)C)[C@@]1(C)CCC(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yang, Chun-Hua; Zhang, Shi-Fang; Liu, Wen-Ying; Zhang, Zun-Jian; Liu, Jing-Han Two New Triterpenes from the Surface Layer of Poria cocos Helvetica Chimica Acta 2009 92 (4) 660-667. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.200800360 | PMID | - |
