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SOPHORONOL_A;3-S-3,5,7,2'-TETRAHYDROXY-2'',2''-DIMETHYLPYRANO-[5''.6'':3'.4']-ISOFLAVONE
SpectraBase Compound ID Gs4l1D3iucw
InChI InChI=1S/C20H18O7/c1-19(2)6-5-11-14(27-19)4-3-12(17(11)23)20(25)9-26-15-8-10(21)7-13(22)16(15)18(20)24/h3-8,21-23,25H,9H2,1-2H3/t20-/m1/s1
InChIKey NDCXIIAUSGBKRL-HXUWFJFHSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oNFoM7WRXp
Name SOPHORONOL_A;3-S-3,5,7,2'-TETRAHYDROXY-2'',2''-DIMETHYLPYRANO-[5''.6'':3'.4']-ISOFLAVONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-19(2)6-5-11-14(27-19)4-3-12(17(11)23)20(25)9-26-15-8-10(21)7-13(22)16(15)18(20)24/h3-8,21-23,25H,9H2,1-2H3/t20-/m1/s1
InChIKey NDCXIIAUSGBKRL-HXUWFJFHSA-N
Literature Reference Author G.P.ZHANG,Z.Y.XIAO,J.RAFIQUE,M.ARFAN,P.J.SMITH,C.A.LATEGAN,L .H.HU
Literature Reference Citation J.NAT.PROD.,72,1265(2009)
Literature Reference DOI 10.1021/np900144c
Molecular Weight 370.359 g/mol
Sample ID 33177
Solvent DMSO-D6