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(7'-E),(7-R,8-S)-3,4,9-TRIHYDROXY-4',7-EPOXY-8,3'-OXYNEOLIGNAN-7'-EN-8'-OIC_ACID
SpectraBase Compound ID 2yLkiCKmO7u
InChI InChI=1S/C18H16O7/c19-9-16-18(11-3-4-12(20)13(21)8-11)25-14-5-1-10(2-6-17(22)23)7-15(14)24-16/h1-8,16,18-21H,9H2,(H,22,23)/b6-2+/t16-,18+/m1/s1
InChIKey FFMAMRFQOOHFDW-MTDRZROQSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H16O7
Exact Mass 344.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJl7dxHul8y
Name (7'-E),(7-R,8-S)-3,4,9-TRIHYDROXY-4',7-EPOXY-8,3'-OXYNEOLIGNAN-7'-EN-8'-OIC_ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O7
InChI InChI=1S/C18H16O7/c19-9-16-18(11-3-4-12(20)13(21)8-11)25-14-5-1-10(2-6-17(22)23)7-15(14)24-16/h1-8,16,18-21H,9H2,(H,22,23)/b6-2+/t16-,18+/m1/s1
InChIKey FFMAMRFQOOHFDW-MTDRZROQSA-N
Literature Reference Author P.H.NGUYEN,J.L.YANG,M.N.UDDIN,S.L.PARK,S.I.LIM,D.W.JUNG,D.R. WILLIAMS,W.K.OH
Literature Reference Citation J.NAT.PROD.,76,2080(2013)
Literature Reference DOI 10.1021/np400533h
Molecular Weight 344.321 g/mol
Solvent CD3OD
Source File Reference UWMZ43432