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6,2',4',6'-O-TETRAACETYL-3-O-TRANS-PARA-COUMAROYLSUCROSE
SpectraBase Compound ID KVVDobiPLkD
InChI InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey XWPPRVNDLPFLQI-YHDUQGLLSA-N
Mol Weight 656.6 g/mol
Molecular Formula C29H36O17
Exact Mass 656.19525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGOj12HTA1A
Name 6,2',4',6'-O-TETRAACETYL-3-O-TRANS-PARA-COUMAROYLSUCROSE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O17
InChI InChI=1S/C29H36O17/c1-14(31)39-11-20-23(37)27(44-22(36)10-7-18-5-8-19(35)9-6-18)29(13-30,45-20)46-28-26(42-17(4)34)24(38)25(41-16(3)33)21(43-28)12-40-15(2)32/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20-,21-,23-,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey XWPPRVNDLPFLQI-YHDUQGLLSA-N
Literature Reference Author N.SHIMAZAKI,Y.MIMAKI,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,30,1475(1991)
Literature Reference DOI 10.1016/0031-9422(91)84190-4
Molecular Weight 656.595 g/mol
Solvent CD3OD
Source File Reference UWLU34340