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

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(-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5,5',5''-HEXAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL
SpectraBase Compound ID HzSrJlzbCCO
InChI InChI=1S/C33H40O13/c1-38-21-7-16(8-22(39-2)29(21)36)28(35)27(13-34)46-33-25(42-5)11-18(12-26(33)43-6)32-20-15-44-31(19(20)14-45-32)17-9-23(40-3)30(37)24(10-17)41-4/h7-12,19-20,27-28,31-32,34-37H,13-15H2,1-6H3/t19-,20-,27+,28+,31+,32+/m1/s1
InChIKey CQPUHIMEOUJAQQ-YRZXVZQWSA-N
Mol Weight 644.7 g/mol
Molecular Formula C33H40O13
Exact Mass 644.246891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cmzfTXTYEP
Name (-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5,5',5''-HEXAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O13
InChI InChI=1S/C33H40O13/c1-38-21-7-16(8-22(39-2)29(21)36)28(35)27(13-34)46-33-25(42-5)11-18(12-26(33)43-6)32-20-15-44-31(19(20)14-45-32)17-9-23(40-3)30(37)24(10-17)41-4/h7-12,19-20,27-28,31-32,34-37H,13-15H2,1-6H3/t19-,20-,27+,28+,31+,32+/m1/s1
InChIKey CQPUHIMEOUJAQQ-YRZXVZQWSA-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 644.673 g/mol
Sample ID 38250
Solvent ACETONE-D6