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(-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5-TETRAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL

View entire compound with spectra: 2 NMR

(-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5-TETRAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL
SpectraBase Compound ID 4nOL26CXYFQ
InChI InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3/t19-,20-,27+,28+,29+,30+/m1/s1
InChIKey DVTIDVKFFJRCAB-MUVIMXQCSA-N
Mol Weight 584.6 g/mol
Molecular Formula C31H36O11
Exact Mass 584.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JncMcLLxiqI
Name (-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5-TETRAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O11
InChI InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3/t19-,20-,27+,28+,29+,30+/m1/s1
InChIKey DVTIDVKFFJRCAB-MUVIMXQCSA-N
Literature Reference Author L.XIONG,C.ZHU,Y.LI,Y.TIAN,S.LIN,S.YUAN,J.HU,Q.HOU,N.CHEN,Y.Y ANG,J.SHI
Literature Reference Citation J.NAT.PROD.,74,1188(2011)
Literature Reference DOI 10.1021/np200117y
Molecular Weight 584.620 g/mol
Sample ID 38243
Solvent CDCl3