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(9R)-9-O-METHYLCUBEBIN

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(9R)-9-O-METHYLCUBEBIN
SpectraBase Compound ID AfQmFTh51Ie
InChI InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1
InChIKey UUUXPUGZNDRYSV-GCKMJXCFSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiXsHwAhgFW
Name (8-R,8'-R,9-S)-9-ALPHA-METHOXY-3,4,3',4'-DIMETHYLENEDIOXY-8.8'.9.O.9'-LIGNAN-DELTA:1,3,5,1',3',5'
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-22-21-16(7-14-3-5-18-20(9-14)27-12-25-18)15(10-23-21)6-13-2-4-17-19(8-13)26-11-24-17/h2-5,8-9,15-16,21H,6-7,10-12H2,1H3/t15-,16+,21+/m0/s1
InChIKey UUUXPUGZNDRYSV-GCKMJXCFSA-N
Literature Reference Author E.E.D.A.BLUMENTHAL,M.S.D.SILVA,M.YOSHIDA
Literature Reference Citation PHYTOCHEM.,46,745(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00199-4
Molecular Weight 370.402 g/mol
Sample ID 40687
Solvent CDCl3