CAS | 7374-79-0 |
Structure | |
Synonyms | (+)-Syringaresinol O-beta-D-glucoside |
IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
Molecular Weight | 580.58 |
Molecular Formula | C28H36O13 |
Canonical SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC |
InChI | InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1 |
InChI Key | WEKCEGQSIIQPAQ-IRBNZIFYSA-N |
Boiling Point | 778.5±60.0 °C |
Melting Point | 182-183 °C |
Purity | 98% |
Density | 1.399±0.06 g/ml |
pKa | 9.85±0.40 |
Appearance | Powder |
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