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EMODIN-8-BETA-D-(2''-O-COUMARATE)-GLUCOPYRANOSIDE
SpectraBase Compound ID 73PAzJrr7dj
InChI InChI=1S/C30H26O12/c1-13-8-17-23(19(34)9-13)27(38)24-18(25(17)36)10-16(33)11-20(24)40-30-29(28(39)26(37)21(12-31)41-30)42-22(35)7-4-14-2-5-15(32)6-3-14/h2-11,21,26,28-34,37,39H,12H2,1H3/b7-4+/t21-,26-,28+,29-,30-/m1/s1
InChIKey IZGRSYKPHRAZHB-UMRVPBTFSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DU9l1cpR7bN
Name EMODIN-8-BETA-D-(2''-O-COUMARATE)-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O12
InChI InChI=1S/C30H26O12/c1-13-8-17-23(19(34)9-13)27(38)24-18(25(17)36)10-16(33)11-20(24)40-30-29(28(39)26(37)21(12-31)41-30)42-22(35)7-4-14-2-5-15(32)6-3-14/h2-11,21,26,28-34,37,39H,12H2,1H3/b7-4+/t21-,26-,28+,29-,30-/m1/s1
InChIKey IZGRSYKPHRAZHB-UMRVPBTFSA-N
Literature Reference Author H.Y.QI,C.F.ZHANG,M.ZHANG,J.Q.LIU,Z.T.WANG
Literature Reference Citation CHIN.CHEM.LETT.,16,1050(2005)
Molecular Weight 578.529 g/mol
Sample ID 35836
Solvent DMSO-D6