CAS | 71222-06-5 |
Synonyms | Isolariciresinol 9'-beta-D-xylopyranoside |
IUPAC Name | (2R,3R,4S,5R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol |
Molecular Weight | 492.52 |
Molecular Formula | C25H32O10 |
Canonical SMILES | COC1=C(C=C2C(C(C(CC2=C1)CO)COC3C(C(C(CO3)O)O)O)C4=CC(=C(C=C4)O)OC)O |
InChI | InChI=1S/C25H32O10/c1-32-20-6-12(3-4-17(20)27)22-15-8-18(28)21(33-2)7-13(15)5-14(9-26)16(22)10-34-25-24(31)23(30)19(29)11-35-25/h3-4,6-8,14,16,19,22-31H,5,9-11H2,1-2H3/t14-,16-,19+,22-,23-,24+,25+/m0/s1 |
InChI Key | TXSJJCSJHIDTDE-JTVAWUQMSA-N |
Boiling Point | 729.0±60.0 °C |
Purity | 98% |
Density | 1.47±0.1 g/ml |
pKa | 10.08±0.35 |
Appearance | Powder |
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