$60.00
| CAS No.: | 122021-74-3 |
| Molecular Formula | C₃₆H₂₈MgO₁₆ |
| Molecular Weight | 740.9g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
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IUPAC Name: magnesium;2-[(E)-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=1S/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+;
InChIKey: ANUBYMNVOPVATP-OAZHBLANSA-L
Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2]
Isomeric SMILES: C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)/C=C/C2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2]
Synonyms: 122021-74-3; Magnesium lithospermate B; Lithospermate B; Monomethyl lithospermate B; Magnesium;2-[(E)-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; AKOS040744701; FS-7006; DA-55175; …
Botanical Source: Salviae Miltiorrhizae Radix et Rhizoma
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