John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1i8paZBAKQ8

(accessed ).
3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-QUILLAIC-ACID
SpectraBase Compound ID 1i8paZBAKQ8
InChI InChI=1S/C43H66O16/c1-38(2)14-15-43(37(53)54)21(16-38)20-8-9-24-39(3)12-11-26(40(4,19-45)23(39)10-13-41(24,5)42(20,6)17-25(43)46)57-36-33(30(50)29(49)32(58-36)34(52)55-7)59-35-31(51)28(48)27(47)22(18-44)56-35/h8,19,21-33,35-36,44,46-51H,9-18H2,1-7H3,(H,53,54)/t21?,22-,23?,24?,25-,26+,27+,28+,29+,30+,31-,32+,33-,35+,36-,39+,40+,41-,42-,43-/m1/s1
InChIKey YOMFYUMWXUPIGT-YVESDUAMSA-N
Mol Weight 839.0 g/mol
Molecular Formula C43H66O16
Exact Mass 838.435087 g/mol
Enantiomer InChIKey YOMFYUMWXUPIGT-XCXSXBHKSA-N
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