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122021-74-3 magnesium lithospermate b

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Product Name Magnesium lithospermate B
CAS No. 122021-74-3
Synonyms Lithospermate B; Magnesium, ((1R)-1-(carboxy-kappaO)-2-(3,4-dihydroxyphenyl)ethyl (2S,3S)-4-((1E)-3-((1R)-1-(carboxy-kappaO)-2-(3,4-dihydroxyphenyl)ethoxy)-3-(oxo-kappaO)-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-)-kappaO3')-, (T-4)-; Magnesium, (1-carboxy-2-(3,4-dihydroxyphenyl)ethyl 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-))-, (T-4-(2S-(2alpha,3beta(S*),4(E(S*)))))-; magnesium 2-({(2E)-3-[3-{[1-carboxylato-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)propanoate
InChI InChI=1/C36H30O16.Mg/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17;/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48);/q;+2/p-2/b10-5+;
Molecular Formula C36H28MgO16
Molecular Weight 740.9029
Boiling point 1020.3°C at 760 mmHg
Flash point 322.1°C