Scientific information on chemical compounds included in crude drugs
Platycodin A
|
| Molecular formula | C59H94O29 |
| Average molecular mass (Molecular weight) |
1267.4 |
| Exact molecular mass | 1266.588077 |
| [M+H]+ | 1267.596 |
| [M-H]- | 1265.58 |
| CAS | |
| NIKKAJI | |
| PUBCHEM No. | 46173910 |
| Crude drug | Platycodon Root |
| IUPAC_NAME | [(2S,3R,4S,5S)-3-[(2S,3R,4R,5R,6S)-3-acetyloxy-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Remarks | InChIKey (PubChem): CNHZRRBWLMSLDX-WNHLAMKZSA-N |
