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6-O-[(2'',3'',4''-TRI-O-ACETYL-6''-O-ALLOPHANYL)-BETA-D-GLUCOPYRANOSYL]-5-METHOXY-7-PHENYL-3H-BENZO-[DE]-ISOCHROMEN-1-ONE
SpectraBase Compound ID 4amIfwH4oVN
InChI InChI=1S/C33H32N2O14/c1-15(36)45-27-23(14-44-33(41)35-32(34)40)48-31(29(47-17(3)38)28(27)46-16(2)37)49-26-22(42-4)12-19-13-43-30(39)21-11-10-20(25(26)24(19)21)18-8-6-5-7-9-18/h5-12,23,27-29,31H,13-14H2,1-4H3,(H3,34,35,40,41)/t23-,27-,28+,29-,31+/m1/s1
InChIKey GYEQPULTNSFUHY-DSRNJIGWSA-N
Mol Weight 680.6 g/mol
Molecular Formula C33H32N2O14
Exact Mass 680.185354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPsJYnD9yoA
Name 6-O-[(2'',3'',4''-TRI-O-ACETYL-6''-O-ALLOPHANYL)-BETA-D-GLUCOPYRANOSYL]-5-METHOXY-7-PHENYL-3H-BENZO-[DE]-ISOCHROMEN-1-ONE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H32N2O14
InChI InChI=1S/C33H32N2O14/c1-15(36)45-27-23(14-44-33(41)35-32(34)40)48-31(29(47-17(3)38)28(27)46-16(2)37)49-26-22(42-4)12-19-13-43-30(39)21-11-10-20(25(26)24(19)21)18-8-6-5-7-9-18/h5-12,23,27-29,31H,13-14H2,1-4H3,(H3,34,35,40,41)/t23-,27-,28+,29-,31+/m1/s1
InChIKey GYEQPULTNSFUHY-DSRNJIGWSA-N
Literature Reference Author S.OPITZ,D.HOELSCHER,N.J.OLDHAM,S.BARTRAM,B.SCHNEIDER
Literature Reference Citation J.NAT.PROD.,65,1122(2002)
Literature Reference DOI 10.1021/np020083s
Molecular Weight 680.622 g/mol
Solvent ACETONE-D6
Source File Reference UWSI7018