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REL-(7S,8S,1'R,4'S,5'S)-DELTA-(2',8')-4'-HYDROXY-3'-METHOXY-3,4-METHYLENEDIOXY-6'-OXO-8.1',7.5'-NEOLIGNAN
SpectraBase Compound ID 1wASudpw0h0
InChI InChI=1S/C20H22O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h4-6,8-9,11,16-18,21H,1,7,10H2,2-3H3/t11-,16+,17-,18+,20-/m0/s1
InChIKey LMEBFVJZZLWXDR-IGZHZKFCSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91u2VnECE3x
Name REL-(7S,8S,1'R,4'S,5'S)-DELTA-(2',8')-4'-HYDROXY-3'-METHOXY-3,4-METHYLENEDIOXY-6'-OXO-8.1',7.5'-NEOLIGNAN
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-4-7-20-9-15(23-3)18(21)17(19(20)22)16(11(20)2)12-5-6-13-14(8-12)25-10-24-13/h4-6,8-9,11,16-18,21H,1,7,10H2,2-3H3/t11-,16+,17-,18+,20-/m0/s1
InChIKey LMEBFVJZZLWXDR-IGZHZKFCSA-N
Literature Reference Author J.M.DAVID,M.YOSHIDA,O.R.GOTTLIEB
Literature Reference Citation PHYTOCHEM.,36,491(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97102-4
Molecular Weight 342.392 g/mol
Solvent CDCl3
Source File Reference UWMS25264