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Catalog | BBC76880938 |
CAS | 76880-93-8 |
Synonyms | β-D-Glucopyranoside, 2-methoxy-4-[[(3S,4R,5S)-tetrahydro-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-furanyl]methyl]phenyl |
IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[[(3S,4R,5S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
Molecular Weight | 538.54 |
Molecular Formula | C26H34O12 |
Canonical SMILES | COC1=C(C=CC(=C1)CC2(COC(C2CO)C3=CC(=C(C=C3)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O |
InChI | InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20-,21-,22+,23-,24-,25-,26-/m1/s1 |
InChI Key | SXGSYHDLSPXCMU-CTQTXEDXSA-N |
Boiling Point | 803.5±65.0 °C |
Purity | 98% |
Density | 1.456±0.06 g/ml |
Appearance | Powder |
pKa | 9.91±0.35 |
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