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ISODISCOLORANONE_A;(3-S)-5,2'-DIHYDROXY-3',4'-METHYLENEDIOXY-3'',3''-DIMETHYLPYRANO-[6.7]-ISOFLAVANONE
SpectraBase Compound ID HGFCb2SELPp
InChI InChI=1S/C21H18O7/c1-21(2)4-3-10-14(28-21)7-17-18(19(10)23)20(24)12(8-25-17)11-5-15-16(6-13(11)22)27-9-26-15/h3-7,12,22-23H,8-9H2,1-2H3/t12-/m1/s1
InChIKey AOFUWUOPIXODTE-GFCCVEGCSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwADj7deUGM
Name ISODISCOLORANONE_A;(3-S)-5,2'-DIHYDROXY-3',4'-METHYLENEDIOXY-3'',3''-DIMETHYLPYRANO-[6.7]-ISOFLAVANONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O7
InChI InChI=1S/C21H18O7/c1-21(2)4-3-10-14(28-21)7-17-18(19(10)23)20(24)12(8-25-17)11-5-15-16(6-13(11)22)27-9-26-15/h3-7,12,22-23H,8-9H2,1-2H3/t12-/m1/s1
InChIKey AOFUWUOPIXODTE-GFCCVEGCSA-N
Literature Reference Author Y.W.CHIN,L.K.MDEE,Z.H.MBWAMBO,Q.MI,H.B.CHAI,G.M.CRAGG,S.M.SW ANSON,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,69,1649(2006)
Literature Reference DOI 10.1021/np060418w
Molecular Weight 382.370 g/mol
Solvent CDCl3
Source File Reference UWMZ17245