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#1;NEGLSCHISANDRIN-C;(6R,7SR-BIAR)-3-PHENYLACRYLIC-ACID-7-HYDROXY-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-5,6,7,8-TETRAHYDRODIBENZO-[A,C]-CYCLOOCTEN-1-YL-ESTER
SpectraBase Compound ID 6brtVqUoTrl
InChI InChI=1S/C32H36O8/c1-19-15-21-16-23(35-3)29(38-6)31(40-25(33)14-13-20-11-9-8-10-12-20)26(21)27-22(18-32(19,2)34)17-24(36-4)28(37-5)30(27)39-7/h8-14,16-17,19,34H,15,18H2,1-7H3/b14-13+/t19-,32-/m0/s1
InChIKey VBQORGWIQRXQDM-UMWGBCGBSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H36O8
Exact Mass 548.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kz6pnYfDhSF
Name #1;NEGLSCHISANDRIN-C;(6R,7SR-BIAR)-3-PHENYLACRYLIC-ACID-7-HYDROXY-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-5,6,7,8-TETRAHYDRODIBENZO-[A,C]-CYCLOOCTEN-1-YL-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36O8
InChI InChI=1S/C32H36O8/c1-19-15-21-16-23(35-3)29(38-6)31(40-25(33)14-13-20-11-9-8-10-12-20)26(21)27-22(18-32(19,2)34)17-24(36-4)28(37-5)30(27)39-7/h8-14,16-17,19,34H,15,18H2,1-7H3/b14-13+/t19-,32-/m0/s1
InChIKey VBQORGWIQRXQDM-UMWGBCGBSA-N
Literature Reference Author M.CHEN,Z.LIAO,X.XU,Y.WEN,M.SUN,H.ZHANG,W.MA
Literature Reference Citation MOLECULES,13,1148(2008)
Literature Reference DOI 10.3390/molecules13051148
Molecular Weight 548.633 g/mol
Sample ID 56679
Solvent CDCl3