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3-O-METHYL-4'-(3''-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLELLAGIC_ACID
SpectraBase Compound ID 52S6oJmZDpk
InChI InChI=1S/C23H20O13/c1-6-14(26)20(33-7(2)24)16(28)23(32-6)34-11-5-9-12-13-8(21(29)35-18(12)15(11)27)4-10(25)17(31-3)19(13)36-22(9)30/h4-6,14,16,20,23,25-28H,1-3H3/t6-,14-,16-,20+,23+/m1/s1
InChIKey PSQAVUUHZLODEY-CEHFIDGRSA-N
Mol Weight 504.4 g/mol
Molecular Formula C23H20O13
Exact Mass 504.090391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZH0rcZ9tAt
Name 3-O-METHYL-4'-(3''-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLELLAGIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20O13
InChI InChI=1S/C23H20O13/c1-6-14(26)20(33-7(2)24)16(28)23(32-6)34-11-5-9-12-13-8(21(29)35-18(12)15(11)27)4-10(25)17(31-3)19(13)36-22(9)30/h4-6,14,16,20,23,25-28H,1-3H3/t6-,14-,16-,20+,23+/m1/s1
InChIKey PSQAVUUHZLODEY-CEHFIDGRSA-N
Literature Reference Author A.A.MAGID,L.VOUTQUENNE-NAZABADIOKO,D.HARAKAT,C.MORETTI,C.LAV AUD
Literature Reference Citation J.NAT.PROD.,71,914(2008)
Literature Reference DOI 10.1021/np800015p
Molecular Weight 504.404 g/mol
Sample ID 28347
Solvent CD3OD