$130.00
| CAS No.: | 875313-64-7 |
| Molecular Formula | C₃₈H₃₄O₁₆ |
| Molecular Weight | 746.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
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IUPAC Name: [3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 2-(3,4-dihydroxyphenyl)-4-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate
InChI: InChI=1S/C38H34O16/c1-50-36(47)29(15-18-3-8-22(39)26(43)13-18)52-31(46)12-7-20-5-11-25(42)35-32(20)33(34(54-35)21-6-10-24(41)28(45)17-21)38(49)53-30(37(48)51-2)16-19-4-9-23(40)27(44)14-19/h3-14,17,29-30,33-34,39-45H,15-16H2,1-2H3
InChIKey: DHYLGBJCEGEBGQ-UHFFFAOYSA-N
Canonical SMILES: COC(=O)C(CC1=CC(=C(C=C1)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)OC
Isomeric SMILES: COC(=O)C(CC1=CC(=C(C=C1)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)OC
Synonyms: Dimethyl lithospermate B; 875313-64-7; [3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 2-(3,4-dihydroxyphenyl)-4-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate; CID 72814155; (2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2E)-3-[2-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoate; (R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl 2-(3,4-dihydroxyphenyl)-4-((E)-3-(((R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl)oxy)-3-oxoprop-1-en-1-yl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylate; 3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2E)-3-[2-(3,4-dihydroxyphenyl)-3-({[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}carbonyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoate
Botanical Source: Salviae Miltiorrhizae Radix et Rhizoma
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