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LIGALBUMOSIDE-B;(7R,8S,7'S,8'R)-4,9,4'-TRIHYDROXY-3,5,3',5',7'-PENTAMETHOXY-7,9'-EPOXYLIGNAN-9-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID vDNZgrSP6M
InChI InChI=1S/C29H40O14/c1-36-17-6-13(7-18(37-2)22(17)31)27(40-5)15-11-41-28(14-8-19(38-3)23(32)20(9-14)39-4)16(15)12-42-29-26(35)25(34)24(33)21(10-30)43-29/h6-9,15-16,21,24-35H,10-12H2,1-5H3/t15-,16+,21-,24-,25+,26-,27+,28+,29-/m0/s1
InChIKey ADCPQEZOSVWRAN-PRTWQUIVSA-N
Mol Weight 612.6 g/mol
Molecular Formula C29H40O14
Exact Mass 612.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RvfQaDR8a2
Name LIGALBUMOSIDE-B;(7R,8S,7'S,8'R)-4,9,4'-TRIHYDROXY-3,5,3',5',7'-PENTAMETHOXY-7,9'-EPOXYLIGNAN-9-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O14
InChI InChI=1S/C29H40O14/c1-36-17-6-13(7-18(37-2)22(17)31)27(40-5)15-11-41-28(14-8-19(38-3)23(32)20(9-14)39-4)16(15)12-42-29-26(35)25(34)24(33)21(10-30)43-29/h6-9,15-16,21,24-35H,10-12H2,1-5H3/t15-,16+,21-,24-,25+,26-,27+,28+,29-/m0/s1
InChIKey ADCPQEZOSVWRAN-PRTWQUIVSA-N
Literature Reference Author N.X.NHIEM,H.Y.LEE,N.Y.KIM,S.J.PARK,E.S.KIM,J.E.HAN,H.YANG,S. H.KIM
Literature Reference Citation MAGN.RES.CHEM.,50,772(2012)
Literature Reference DOI 10.1002/mrc.3875
Molecular Weight 612.628 g/mol
Solvent CD3OD
Source File Reference UWLU82385