John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IYNgXTDNBTe SpectraBase Spectrum ID=11ac7E5ctYL

(accessed ).
2'',3'',4',7-TETRA-O-ACETYL-4'',6''-O-BENZYLIDENE-PUERARIN;ISOMER-(A)
SpectraBase Compound ID IYNgXTDNBTe
InChI InChI=1S/C36H32O13/c1-18(37)44-24-12-10-22(11-13-24)26-16-42-31-25(30(26)41)14-15-27(45-19(2)38)29(31)33-35(47-21(4)40)34(46-20(3)39)32-28(48-33)17-43-36(49-32)23-8-6-5-7-9-23/h5-16,28,32-36H,17H2,1-4H3/t28-,32-,33+,34+,35+,36?/m0/s1
InChIKey NATSBWPCPXIPEP-DNSLKSJSSA-N
Mol Weight 672.6 g/mol
Molecular Formula C36H32O13
Exact Mass 672.184292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11ac7E5ctYL
Name 2'',3'',4',7-TETRA-O-ACETYL-4'',6''-O-BENZYLIDENE-PUERARIN;ISOMER-(B)
Compound Number 3
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32O13
InChI InChI=1S/C36H32O13/c1-18(37)44-24-12-10-22(11-13-24)26-16-42-31-25(30(26)41)14-15-27(45-19(2)38)29(31)33-35(47-21(4)40)34(46-20(3)39)32-28(48-33)17-43-36(49-32)23-8-6-5-7-9-23/h5-16,28,32-36H,17H2,1-4H3/t28-,32-,33+,34+,35+,36?/m0/s1
InChIKey NATSBWPCPXIPEP-DNSLKSJSSA-N
Literature Reference Author K.NAKAMURA,T.NISHIHATA,J.S.JIN,C.M.MA,K.KOMATSU,M.IWASHIMA,M .HATTORI
Literature Reference Citation CHEM.PHARM.BULL.,59,23(2011)
Literature Reference DOI 10.1248/cpb.59.23
Molecular Weight 672.642 g/mol
Sample ID 2603
Solvent DMSO-D6
SpectraBase Batch ID 9URZ3ugoHCE