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GORDONOSIDE_M;3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYLACACIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 5rN0X06gKrn
InChI InChI=1S/C53H84O23/c1-21-30(57)33(60)35(62)43(70-21)75-41-31(58)24(55)20-69-46(41)73-39-37(64)40(42(66)67)74-45(38(39)65)72-29-12-13-50(6)26(49(29,4)5)11-14-51(7)27(50)10-9-22-23-17-48(2,3)15-16-53(23,28(56)18-52(22,51)8)47(68)76-44-36(63)34(61)32(59)25(19-54)71-44/h9,21,23-41,43-46,54-65H,10-20H2,1-8H3,(H,66,67)/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53+/m0/s1
InChIKey PNVAFUMGIGXLFN-IJUOOPMQSA-N
Mol Weight 1089.2 g/mol
Molecular Formula C53H84O23
Exact Mass 1088.540339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Op9mzEtCq4
Name GORDONOSIDE_M;3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCURONOPYRANOSYLACACIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H84O23
InChI InChI=1S/C53H84O23/c1-21-30(57)33(60)35(62)43(70-21)75-41-31(58)24(55)20-69-46(41)73-39-37(64)40(42(66)67)74-45(38(39)65)72-29-12-13-50(6)26(49(29,4)5)11-14-51(7)27(50)10-9-22-23-17-48(2,3)15-16-53(23,28(56)18-52(22,51)8)47(68)76-44-36(63)34(61)32(59)25(19-54)71-44/h9,21,23-41,43-46,54-65H,10-20H2,1-8H3,(H,66,67)/t21-,23-,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,41+,43-,44-,45+,46-,50-,51+,52+,53+/m0/s1
InChIKey PNVAFUMGIGXLFN-IJUOOPMQSA-N
Literature Reference Author H.Z.FU,C.J.LI,J.Z.YANG,Z.F.SHEN,D.M.ZHANG
Literature Reference Citation J.NAT.PROD.,74,1066(2011)
Literature Reference DOI 10.1021/np200021f
Molecular Weight 1089.236 g/mol
Sample ID 38144
Solvent C5D5N