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1,2',3',4',6'-O-PENTAACETYL-3-O-TRANS-PARA-COUMAROYL-SUCROSE
SpectraBase Compound ID IG9FzgZreak
InChI InChI=1S/C31H38O18/c1-15(33)41-13-23-26(43-17(3)35)27(44-18(4)36)28(45-19(5)37)30(46-23)49-31(14-42-16(2)34)29(25(40)22(12-32)48-31)47-24(39)11-8-20-6-9-21(38)10-7-20/h6-11,22-23,25-30,32,38,40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1
InChIKey TURMJJCWDOVIBV-OZNBHJLGSA-N
Mol Weight 698.6 g/mol
Molecular Formula C31H38O18
Exact Mass 698.205814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fFfRygxSVu
Name 1,2',3',4',6'-O-PENTAACETYL-3-O-TRANS-PARA-COUMAROYL-SUCROSE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O18
InChI InChI=1S/C31H38O18/c1-15(33)41-13-23-26(43-17(3)35)27(44-18(4)36)28(45-19(5)37)30(46-23)49-31(14-42-16(2)34)29(25(40)22(12-32)48-31)47-24(39)11-8-20-6-9-21(38)10-7-20/h6-11,22-23,25-30,32,38,40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29+,30-,31+/m1/s1
InChIKey TURMJJCWDOVIBV-OZNBHJLGSA-N
Literature Reference Author L.B.DONG,J.HE,X.Y.LI,X.D.WU,X.DENG,G.XU,L.Y.PENG,Y.ZHAO,Y.LI ,X.GONG,Q.S.ZHAO
Literature Reference Citation NAT.PROD.BIOPROS.,1,41(2011)
Literature Reference DOI 10.1007/s13659-011-0007-7
Molecular Weight 698.632 g/mol
Solvent CD3OD
Source File Reference UWLU82154