Scientific information on chemical compounds included in crude drugs
Lithospermic acid B
Molecular formula | C36H30O16 |
Average molecular mass (Molecular weight) |
718.6 |
Exact molecular mass | 718.153385 |
[M+H]+ | 719.161 |
[M-H]- | 717.146 |
CAS | |
NIKKAJI | |
PUBCHEM No. | 6451084 |
Crude drug | Salvia Miltiorrhiza Root |
IUPAC_NAME | (2R)-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
Remarks | InChIKey (PubChem): SNKFFCBZYFGCQN-VWUOOIFGSA-N |