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PRUNOSE-III;4,3',4',6'-TETRA-O-ACETYL-6-O-BETA-PARA-COUMAROYL-SUCROSE
SpectraBase Compound ID KgVl9BG1p9j
InChI InChI=1S/C29H36O17/c1-14(31)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/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+/m1/s1
InChIKey GHWCYGFRVFZILX-XQUPJRSRSA-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 J8ZbuYavtoa
Name PRUNOSE-III;4,3',4',6'-TETRA-O-ACETYL-6-O-BETA-PARA-COUMAROYL-SUCROSE
Compound Number 1
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)39-11-20-24(41-15(2)32)26(43-17(4)34)23(37)28(44-20)46-29(13-30)27(38)25(42-16(3)33)21(45-29)12-40-22(36)10-7-18-5-8-19(35)9-6-18/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+/m1/s1
InChIKey GHWCYGFRVFZILX-XQUPJRSRSA-N
Literature Reference Author H.MATSUDA,T.MORIKAWA,T.ISHIWADA,H.MANAGI,M.KAGAWA,Y.HIGASHI, M.YOSHIKAWA
Literature Reference Citation CHEM.PHARM.BULL.,51,440(2003)
Literature Reference DOI 10.1248/cpb.51.440
Molecular Weight 656.595 g/mol
Solvent DMSO-D6
Source File Reference UWMS21252