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#4;ERYNGIOSIDE-A;3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLOXY-22-ALPHA-BETA-D-GLUCOPYRANOSYLOXY-OLEAN-12-ENE-16-
SpectraBase Compound ID Ci7C4IEMyOf
InChI InChI=1S/C54H90O24/c1-49(2)14-23-22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)15-30(60)54(23,21-59)32(16-49)76-45-41(69)37(65)33(61)24(17-55)71-45)75-47-43(39(67)35(63)26(19-57)73-47)78-48-44(40(68)36(64)27(20-58)74-48)77-46-42(70)38(66)34(62)25(18-56)72-46/h8,23-48,55-70H,9-21H2,1-7H3/t23-,24-,25+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
InChIKey JXXFTZWSYXXYBR-FPEBLHFVSA-N
Mol Weight 1123.3 g/mol
Molecular Formula C54H90O24
Exact Mass 1122.582204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpNNf1CNsD
Name #4;ERYNGIOSIDE-A;3-BETA-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLOXY-22-ALPHA-BETA-D-GLUCOPYRANOSYLOXY-OLEAN-12-ENE-16-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H90O24
InChI InChI=1S/C54H90O24/c1-49(2)14-23-22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)15-30(60)54(23,21-59)32(16-49)76-45-41(69)37(65)33(61)24(17-55)71-45)75-47-43(39(67)35(63)26(19-57)73-47)78-48-44(40(68)36(64)27(20-58)74-48)77-46-42(70)38(66)34(62)25(18-56)72-46/h8,23-48,55-70H,9-21H2,1-7H3/t23-,24-,25+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
InChIKey JXXFTZWSYXXYBR-FPEBLHFVSA-N
Literature Reference Author Z.ZHANG,S.LI,S.OWNBY,P.WANG,W.YUAN,W.ZHANG,R.S.BEASLEY
Literature Reference Citation PHYTOCHEM.,69,2070(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.03.020
Molecular Weight 1123.294 g/mol
Sample ID 63224
Solvent C5D5N