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SECOISOLARICIRESINOL-DI-GLUCOPYRANOSIDE;2,3-BIS-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1,4-BUTANEDIYL-BIS-[R-(R*,R*)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID I5pBoVzgow7
InChI InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
InChIKey SBVBJPHMDABKJV-NNSPVXBOSA-N
Mol Weight 686.7 g/mol
Molecular Formula C32H46O16
Exact Mass 686.278585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3axXrmbaPxC
Name #SDG;SECOISOLARICIRESINOL-DI-GLUCOPYRANOSIDE;2,3-BIS-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1,4-BUTANEDIYL-BIS-[R-(R*,R*)]-BETA-D-GLUCOPYRANOSIDE;REFERENCE-19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H46O16
InChI InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
InChIKey SBVBJPHMDABKJV-NNSPVXBOSA-N
Literature Reference Author W.ZHANG,S.XU
Literature Reference Citation J.CHROMAT.SCI.,45,177(2007)
Literature Reference DOI 10.1093/chromsci/45.4.177
Molecular Weight 686.708 g/mol
Solvent CD3OD
Source File Reference UWLU76382