rac Secoisolariciresinol Diglucoside

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CATAPS158932333
CAS158932-33-3
Structure
SynonymsSecoisolariciresinol Diglycoside, Seco-Isolariciresinol Diglycoside
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight686.70
Molecular FormulaC32H46O16
Canonical SMILESCOc1cc(C[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Cc4ccc(O)c(OC)c4)ccc1O
InChIInChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m0/s1
Accurate Mass686.2786
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Size10MG
Storage Conditions-20°C Freezer
SubcategoryOligosaccharides
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