Scientific information on chemical compounds included in crude drugs
Soyasaponin I
|
| Molecular formula | C48H78O18 |
| Average molecular mass (Molecular weight) |
943.1 |
| Exact molecular mass | 942.518816 |
| [M+H]+ | 943.527 |
| [M-H]- | 941.511 |
| CAS | |
| NIKKAJI | |
| PUBCHEM No. | 122097 |
| Crude drug | Astragalus Root |
| IUPAC_NAME | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid |
| Remarks | InChIKey (PubChem): PTDAHAWQAGSZDD-IOVCITQVSA-N |
