Compounds
COMPOUND NPA004104
PROPERTIES
| NPAID | NPA004104 |
|---|---|
| CLUSTER ID | 69 |
| NODE ID | 64 |
| NAME | 3-epidehydropachymic acid |
| FORMULA | C33H50O5 |
| MOLECULAR WEIGHT (Da) | 526.7580 |
| ACCURATE MASS (Da) | 526.3658 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Poria |
| ORIGIN SPECIES | cocos |
| InChIKey | RWIALJIVPUCERT-ROLXBSRMSA-N |
| InChI | InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27-,28+,31-,32-,33+/m1/s1 |
| SMILES | CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tai, Takaaki; Shingu, Tetsuro; Kikuchi, Tohru; Tezuka, Yasuhiro; Akahori, Akira Isolation of lanostane-type triterpene acids having an acetoxyl group from sclerotia of Poria cocos Phytochemistry 1995 40 (1) 225-231. | ||
|---|---|---|---|
| DOI | 10.1016/0031-9422(95)00182-7 | PMID | - |
