$150.00
| CAS No.: | 98942-06-4 |
| Molecular Formula | C₃₃H₄₀O₁₈ |
| Molecular Weight | 724.7g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenylpropanoids |
| Weight |
|---|
IUPAC Name: [(2R,3S,4R,5R)-4-hydroxy-2-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI: InChI=1S/C33H40O18/c1-44-19-10-16(4-7-18(19)36)5-9-25(38)49-31-28(41)23(14-35)50-33(31,51-32-30(43)29(42)27(40)22(13-34)48-32)15-47-24(37)8-6-17-11-20(45-2)26(39)21(12-17)46-3/h4-12,22-23,27-32,34-36,39-43H,13-15H2,1-3H3/b8-6+,9-5+/t22-,23-,27-,28-,29+,30-,31+,32-,33-/m1/s1
InChIKey: LHGNBKKPEPCPCT-MAPAUBAGSA-N
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2(C(C(C(O2)CO)O)OC(=O)C=CC3=CC(=C(C=C3)O)OC)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Synonyms: 3-Feruloyl-1-Sinapoyl sucrose; 98942-06-4; DA-60260
Botanical Source: Polygalae radix
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