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#5;ILEXOSIDE-XIII;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-POMOLIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]
SpectraBase Compound ID 8IlMD4Kk4VW
InChI InChI=1S/C64H104O31/c1-24-11-16-64(58(82)95-57-49(93-53-45(79)40(74)35(69)25(2)87-53)43(77)39(73)31(90-57)23-86-52-44(78)36(70)27(67)21-84-52)18-17-61(6)26(51(64)63(24,8)83)9-10-33-60(5)14-13-34(59(3,4)32(60)12-15-62(33,61)7)91-56-50(94-55-47(81)42(76)38(72)30(20-66)89-55)48(28(68)22-85-56)92-54-46(80)41(75)37(71)29(19-65)88-54/h9,24-25,27-57,65-81,83H,10-23H2,1-8H3/t24-,25+,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-,52+,53+,54+,55-,56+,57+,60?,61?,62?,63-,64+/m1/s1
InChIKey JXJHHBCQWJJKSW-VLODRGJASA-N
Mol Weight 1369.5 g/mol
Molecular Formula C64H104O31
Exact Mass 1368.656157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVplQMvPWlk
Name #5;ILEXOSIDE-XIII;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-POMOLIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O31
InChI InChI=1S/C64H104O31/c1-24-11-16-64(58(82)95-57-49(93-53-45(79)40(74)35(69)25(2)87-53)43(77)39(73)31(90-57)23-86-52-44(78)36(70)27(67)21-84-52)18-17-61(6)26(51(64)63(24,8)83)9-10-33-60(5)14-13-34(59(3,4)32(60)12-15-62(33,61)7)91-56-50(94-55-47(81)42(76)38(72)30(20-66)89-55)48(28(68)22-85-56)92-54-46(80)41(75)37(71)29(19-65)88-54/h9,24-25,27-57,65-81,83H,10-23H2,1-8H3/t24-,25+,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-,52+,53+,54+,55-,56+,57+,60?,61?,62?,63-,64+/m1/s1
InChIKey JXJHHBCQWJJKSW-VLODRGJASA-N
Literature Reference Author T.KAKUNO,K.YSHIKAWA,S.ARIHARA
Literature Reference Citation PHYTOCHEM.,31,3553(1992)
Literature Reference DOI 10.1016/0031-9422(92)83726-F
Molecular Weight 1369.511 g/mol
Solvent C5D5N
Source File Reference UWMS27131