Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA010594
PROPERTIES
NPAID | NPA010594 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Dimethyl poricoate F |
FORMULA | C31H46O6 |
MOLECULAR WEIGHT (Da) | 514.7030 |
ACCURATE MASS (Da) | 514.3294 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Poria |
ORIGIN SPECIES | cocos |
InChIKey | RBBCMULWYWYPHY-KGXQETAESA-N |
InChI | InChI=1S/C31H46O6/c1-18(2)19(3)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(20(4)17-32)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,18,21-22,25,27,32-33H,3-4,8-10,13-17H2,1-2,5-7H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
SMILES | CC(C)C(=C)CCC([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@H]([C@]3(C)CCC(=O)O)C(=C)CO)C)C)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Takaaki Tai; Tetsuro Shingu; Tohru Kikuchi; Yasuhiro Tezuka; Akira Akahori Triterpenes from the surface layer of Poria cocos Phytochemistry 1995 39 (5) 1165-1169. | ||
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DOI | 10.1016/0031-9422(95)00110-s | PMID | - |