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PHYLLANEMBLININ-B;1-O-GALLOYL-2,4-(R)-HEXAHYDROXYDIPHENOYL-BETA-D-GLUCOSE
SpectraBase Compound ID AIEqlB0WRx7
InChI InChI=1S/C27H22O18/c28-5-13-22-21(38)23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)20(37)15(8)14-7(25(40)43-22)3-11(31)17(34)19(14)36/h1-4,13,21-23,27-38H,5H2/t13-,21+,22-,23-,27+/m1/s1
InChIKey NJXCTOMVEYVVGG-MLKBLKPTSA-N
Mol Weight 634.46 g/mol
Molecular Formula C27H22O18
Exact Mass 634.080614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmaI930tbAb
Name PHYLLANEMBLININ-B;1-O-GALLOYL-2,4-(R)-HEXAHYDROXYDIPHENOYL-BETA-D-GLUCOSE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22O18
InChI InChI=1S/C27H22O18/c28-5-13-22-21(38)23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)20(37)15(8)14-7(25(40)43-22)3-11(31)17(34)19(14)36/h1-4,13,21-23,27-38H,5H2/t13-,21+,22-,23-,27+/m1/s1
InChIKey NJXCTOMVEYVVGG-MLKBLKPTSA-N
Literature Reference Author Y.J.ZHANG,T.ABE,T.TANAKA,C.R.YANG,I.KOUNO
Literature Reference Citation J.NAT.PROD.,64,1527(2001)
Literature Reference DOI 10.1021/np010370g
Molecular Weight 634.461 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2390