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(1S,3R,4R,5R)-1,3,4-triacetoxy-5-[(E)-3-(3,4-diacetoxyphenyl)acryloyl]oxy-cyclohexane-1-carboxylic acid methyl ester
SpectraBase Compound ID VnD8iFULIH
InChI InChI=1S/C27H30O14/c1-14(28)36-20-9-7-19(11-21(20)37-15(2)29)8-10-24(33)40-23-13-27(26(34)35-6,41-18(5)32)12-22(38-16(3)30)25(23)39-17(4)31/h7-11,22-23,25H,12-13H2,1-6H3/b10-8+/t22-,23-,25-,27+/m1/s1
InChIKey KBLQLOLMYALYIZ-KGHLLXIUSA-N
Mol Weight 578.52 g/mol
Molecular Formula C27H30O14
Exact Mass 578.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4F3LxL6WAI
Name (1S,3R,4R,5R)-1,3,4-triacetoxy-5-[(E)-3-(3,4-diacetoxyphenyl)acryloyl]oxy-cyclohexane-1-carboxylic acid methyl ester
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O14
InChI InChI=1S/C27H30O14/c1-14(28)36-20-9-7-19(11-21(20)37-15(2)29)8-10-24(33)40-23-13-27(26(34)35-6,41-18(5)32)12-22(38-16(3)30)25(23)39-17(4)31/h7-11,22-23,25H,12-13H2,1-6H3/b10-8+/t22-,23-,25-,27+/m1/s1
InChIKey KBLQLOLMYALYIZ-KGHLLXIUSA-N
Literature Reference Author A.RUMBERO-SANCHEZ,P.VAZQUEZ
Literature Reference Citation PHYTOCHEM.,30,311(1991)
Literature Reference DOI 10.1016/0031-9422(91)84144-H
Molecular Weight 578.527 g/mol
Solvent CDCl3
Source File Reference UWKP6660