Scientific information on chemical compounds included in crude drugs
Swertiamarin
Molecular formula | C16H22O10 |
Average molecular mass (Molecular weight) |
374.34 |
Exact molecular mass | 374.121297 |
[M+H]+ | 375.129 |
[M-H]- | 373.113 |
CAS | 17388-39-5 |
NIKKAJI | J10.346B |
PUBCHEM No. | 442435 |
Crude drug | Swertia Herb,Gentian,Japanese Gentian |
IUPAC_NAME | (3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one |
Remarks | InChIKey (PubChem): HEYZWPRKKUGDCR-QBXMEVCASA-N |