Scientific information on chemical compounds included in crude drugs
Polygalacin D2
|
| Molecular formula | C63H102O32 |
| Average molecular mass (Molecular weight) |
1371.5 |
| Exact molecular mass | 1370.635421 |
| [M+H]+ | 1371.643 |
| [M-H]- | 1369.628 |
| CAS | |
| NIKKAJI | |
| PUBCHEM No. | 70698218 |
| Crude drug | Platycodon Root |
| IUPAC_NAME | [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9S,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Remarks | InChIKey (PubChem): DSHSDWSTXKYPEQ-UDVDIBAVSA-N |
