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(-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5,5'-PENTAMETHOXY-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'-PENTAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL
SpectraBase Compound ID 4gpQlasncdy
InChI InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3/t19-,20-,27+,28+,30+,31+/m1/s1
InChIKey FITCDKVKQIBVRK-LJEQXPNOSA-N
Mol Weight 614.6 g/mol
Molecular Formula C32H38O12
Exact Mass 614.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VgJMgek5tN
Name (-)-(7-R,7'-R,7''-S,8-S,8'-S,8''-S)-4',4''-DIHYDROXY-3,3',3'',5,5'-PENTAMETHOXY-7,9':7',9-DIEPOXY-4,8''-OXY-8,8'-SESQUINEOLIGNAN-7'',9''-DIOL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38O12
InChI InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3/t19-,20-,27+,28+,30+,31+/m1/s1
InChIKey FITCDKVKQIBVRK-LJEQXPNOSA-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 614.647 g/mol
Sample ID 38247
Solvent CDCl3