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CINERIN_B;(7-R,8-R,3'-S,4'-R,5'-R)-DELTA-(8')-4'-HYDROXY-5,5'-DIMETHOXY-3,4-METHYLENEDIOXY-2',3',4',5'-TETRAHYDRO-2'-OXO-7.3',8.5'-NEOLIGNAN

View entire compound with spectra: 1 NMR, and 1 MS (GC)

CINERIN_B;(7-R,8-R,3'-S,4'-R,5'-R)-DELTA-(8')-4'-HYDROXY-5,5'-DIMETHOXY-3,4-METHYLENEDIOXY-2',3',4',5'-TETRAHYDRO-2'-OXO-7.3',8.5'-NEOLIGNAN
SpectraBase Compound ID 8b2uu4Vqz3l
InChI InChI=1S/C21H24O6/c1-5-6-12-9-21(25-4)11(2)16(17(18(12)22)20(21)23)13-7-14(24-3)19-15(8-13)26-10-27-19/h5,7-9,11,16-17,20,23H,1,6,10H2,2-4H3/t11-,16+,17-,20?,21+/m1/s1
InChIKey DMQHLPFSYZSVNQ-UXMRXXPOSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dc5QhCjOVDv
Name CINERIN_B;(7-R,8-R,3'-S,4'-R,5'-R)-DELTA-(8')-4'-HYDROXY-5,5'-DIMETHOXY-3,4-METHYLENEDIOXY-2',3',4',5'-TETRAHYDRO-2'-OXO-7.3',8.5'-NEOLIGNAN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-5-6-12-9-21(25-4)11(2)16(17(18(12)22)20(21)23)13-7-14(24-3)19-15(8-13)26-10-27-19/h5,7-9,11,16-17,20,23H,1,6,10H2,2-4H3/t11-,16+,17-,20?,21+/m1/s1
InChIKey DMQHLPFSYZSVNQ-UXMRXXPOSA-N
Literature Reference Author E.D.COY,L.E.CUCA,M.SEFKOW
Literature Reference Citation J.NAT.PROD.,72,1245(2009)
Literature Reference DOI 10.1021/np9000569
Molecular Weight 372.418 g/mol
Sample ID 33154
Solvent CDCl3