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PRUNOSE-I;1,4,3',4',6'-PENTA-O-ACETYL-6-O-P-COUMAROYLSUCROSE
SpectraBase Compound ID 9x2TGmj1dDH
InChI InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29-,30-,31+/m1/s1
InChIKey ZOUZJMBDRBNYLJ-MGQACKCFSA-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 nU8FlugNfa
Name PRUNOSE-I;1,4,3',4',6'-PENTA-O-ACETYL-6-O-P-COUMAROYLSUCROSE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O18
InChI InChI=1S/C31H38O18/c1-15(32)41-12-22-26(44-17(3)34)28(46-19(5)36)25(39)30(47-22)49-31(14-43-16(2)33)29(40)27(45-18(4)35)23(48-31)13-42-24(38)11-8-20-6-9-21(37)10-7-20/h6-11,22-23,25-30,37,39-40H,12-14H2,1-5H3/b11-8+/t22-,23-,25-,26-,27+,28-,29-,30-,31+/m1/s1
InChIKey ZOUZJMBDRBNYLJ-MGQACKCFSA-N
Literature Reference Author M.YOSHIKAWA,T.MURAKAMI,T.ISHIWADA,T.MORIKAWA,M.KAGAWA,Y.HIGA SHI,H.MATSUDA
Literature Reference Citation J.NAT.PROD.,65,1151(2002)
Literature Reference DOI 10.1021/np020058m
Molecular Weight 698.632 g/mol
Solvent DMSO-D6
Source File Reference UWSI6294