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SECOISOLARICIRESINOL-DIGLUCOSIDE;2,3-BIS-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1,4-BUTANEDIYL-BIS-[R,(R*,R*)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID DuFwDchTdK2
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-
InChIKey SBVBJPHMDABKJV-WLHTZMAVSA-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 54UQkgdoc6X
Name SECOISOLARICIRESINOL-DIGLUCOSIDE;2,3-BIS-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1,4-BUTANEDIYL-BIS-[R,(R*,R*)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
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-
InChIKey SBVBJPHMDABKJV-WLHTZMAVSA-N
Literature Reference Author S.CHIMICHI,M.BAMBAGIOTTI-ALBERTI,S.A.CORAN,V.GIANNELLINI,B.B IDDAU
Literature Reference Citation MAGN.RES.CHEM.,37,860(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199911)37:11<860::aid-mrc559>3.0.co;2-a
Molecular Weight 686.708 g/mol
Solvent CD3OD
Source File Reference UWGE5199