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#2;ILEXOSIDE-X;POMOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSIDE-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->6)]-BETA
SpectraBase Compound ID CZua4Hrjrks
InChI InChI=1S/C58H94O26/c1-23-11-16-58(52(73)84-51-45(83-49-41(70)37(66)33(62)24(2)78-49)39(68)36(65)29(80-51)22-77-47-40(69)34(63)26(60)20-75-47)18-17-55(6)25(46(58)57(23,8)74)9-10-31-54(5)14-13-32(53(3,4)30(54)12-15-56(31,55)7)81-48-43(72)44(27(61)21-76-48)82-50-42(71)38(67)35(64)28(19-59)79-50/h9,23-24,26-51,59-72,74H,10-22H2,1-8H3/t23-,24+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,54+,55-,56-,57-,58+/m1/s1
InChIKey BWPAYNXATSFYNG-CIBWCDGESA-N
Mol Weight 1207.4 g/mol
Molecular Formula C58H94O26
Exact Mass 1206.603333 g/mol
Enantiomer InChIKey BWPAYNXATSFYNG-GTYHWNKESA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Triterpenoid saponins from Ilex crenata fruit☆ Phytochemistry 1992
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