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(-)-(7-R,8-S,7'-E)-3,4,5,5'-TETRAMETHOXY-4',7-EPOXY-8,3'-NEOLIGN-7'-ENE-9,9-DIOL
SpectraBase Compound ID De5vZKCNdDL
InChI InChI=1S/C22H26O7/c1-25-17-9-13(6-5-7-23)8-15-16(12-24)20(29-21(15)17)14-10-18(26-2)22(28-4)19(11-14)27-3/h5-6,8-11,16,20,23-24H,7,12H2,1-4H3/b6-5+/t16-,20+/m1/s1
InChIKey DKHAWRPWAKXFNA-MGSHXDRLSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wbNncZxcMz
Name (-)-(7-R,8-S,7'-E)-3,4,5,5'-TETRAMETHOXY-4',7-EPOXY-8,3'-NEOLIGN-7'-ENE-9,9-DIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-25-17-9-13(6-5-7-23)8-15-16(12-24)20(29-21(15)17)14-10-18(26-2)22(28-4)19(11-14)27-3/h5-6,8-11,16,20,23-24H,7,12H2,1-4H3/b6-5+/t16-,20+/m1/s1
InChIKey DKHAWRPWAKXFNA-MGSHXDRLSA-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 402.444 g/mol
Sample ID 38235
Solvent ACETONE-D6