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SYMPLOCOSOSIDE;#6;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-22-ALPHA-O-[(2Z)

Compound with spectra: 1 NMR

SYMPLOCOSOSIDE;#6;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-22-ALPHA-O-[(2Z)
SpectraBase Compound ID 6lRymRFHqE9
InChI InChI=1S/C61H98O21/c1-12-13-23-75-52(74)49-47(80-53-44(69)42(67)35(28-63)77-53)46(71)48(81-54-45(70)43(68)41(66)34(27-62)76-54)55(82-49)79-38-20-21-58(9)36(57(38,7)8)19-22-59(10)37(58)18-17-32-33-25-56(5,6)26-39(61(33,29-64)51(73)50(72)60(32,59)11)78-40(65)24-31(4)16-14-15-30(2)3/h15,17,24,33-39,41-51,53-55,62-64,66-73H,12-14,16,18-23,25-29H2,1-11H3/b31-24-/t33-,34+,35+,36?,37+,38-,39-,41+,42+,43-,44-,45+,46-,47-,48+,49-,50-,51+,53+,54-,55+,58-,59+,60-,61+/m0/s1
InChIKey KEDJBUGHODJQAX-LIJLOOHXSA-N
Mol Weight 1167.4 g/mol
Molecular Formula C61H98O21
Exact Mass 1166.66006 g/mol
Enantiomer InChIKey KEDJBUGHODJQAX-YIUXKQLRSA-N

View Spectrum of SYMPLOCOSOSIDE;#6;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-22-ALPHA-O-[(2Z)

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Cytotoxic Triterpenoid Saponins from Symplocos chinensis Journal of Natural Products 2004
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