Scientific information on chemical compounds included in crude drugs
Safflor yellow B
Molecular formula | C48H54O27 |
Average molecular mass (Molecular weight) |
1062.9 |
Exact molecular mass | 1062.285246 |
[M+H]+ | 1063.293 |
[M-H]- | 1061.277 |
CAS | |
NIKKAJI | |
PUBCHEM No. | 131751452 |
Crude drug | Safflower |
IUPAC_NAME | (6Z)-4-[1-[(3Z)-2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]-2,3,4,5,6-pentahydroxyhexyl]-2,5-dihydroxy-6-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione |
Remarks | InChIKey (PubChem): STJDRLLBELOEQZ-IFBMSHHFSA-N |