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REL-(7R,8S,1'R,3'R,4'S,5'S,6'R)-DELTA-(8')-4',5',6'-TRIHYDROXY-3,4,3'-TRIMETHOXY-8.1',7.O.6'-NEOLIGNAN
SpectraBase Compound ID 68yFIxzx7i7
InChI InChI=1S/C21H30O7/c1-6-9-20-11-16(27-5)17(22)19(23)21(20,24)28-18(12(20)2)13-7-8-14(25-3)15(10-13)26-4/h6-8,10,12,16-19,22-24H,1,9,11H2,2-5H3/t12-,16-,17-,18-,19+,20-,21+/m1/s1
InChIKey VELTYHPCXDBDBE-FBLOFJKMSA-N
Mol Weight 394.46 g/mol
Molecular Formula C21H30O7
Exact Mass 394.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7lageV3GwE
Name REL-(7R,8S,1'R,3'R,4'S,5'S,6'R)-DELTA-(8')-4',5',6'-TRIHYDROXY-3,4,3'-TRIMETHOXY-8.1',7.O.6'-NEOLIGNAN
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O7
InChI InChI=1S/C21H30O7/c1-6-9-20-11-16(27-5)17(22)19(23)21(20,24)28-18(12(20)2)13-7-8-14(25-3)15(10-13)26-4/h6-8,10,12,16-19,22-24H,1,9,11H2,2-5H3/t12-,16-,17-,18-,19+,20-,21+/m1/s1
InChIKey VELTYHPCXDBDBE-FBLOFJKMSA-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 394.465 g/mol
Solvent CDCl3
Source File Reference UWMS25274