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AKEQUINTOSIDE-C;(7R,8R)-DIHYDROXY-7-(4-HYDROXY-3-METHOXYPHENYL)-GLYCEROL-9-O-BETA-D-(6'-O-CAFFEOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID CX7bSlXUrlZ
InChI InChI=1S/C25H30O13/c1-35-18-9-13(4-6-15(18)27)21(31)17(29)10-37-25-24(34)23(33)22(32)19(38-25)11-36-20(30)7-3-12-2-5-14(26)16(28)8-12/h2-9,17,19,21-29,31-34H,10-11H2,1H3/b7-3+/t17-,19+,21-,22+,23-,24+,25+/m0/s1
InChIKey HDRBOAHWDMKOAN-YWBWEDINSA-N
Mol Weight 538.5 g/mol
Molecular Formula C25H30O13
Exact Mass 538.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vILQYeMFtl
Name AKEQUINTOSIDE-C;(7R,8R)-DIHYDROXY-7-(4-HYDROXY-3-METHOXYPHENYL)-GLYCEROL-9-O-BETA-D-(6'-O-CAFFEOYL)-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O13
InChI InChI=1S/C25H30O13/c1-35-18-9-13(4-6-15(18)27)21(31)17(29)10-37-25-24(34)23(33)22(32)19(38-25)11-36-20(30)7-3-12-2-5-14(26)16(28)8-12/h2-9,17,19,21-29,31-34H,10-11H2,1H3/b7-3+/t17-,19+,21-,22+,23-,24+,25+/m0/s1
InChIKey HDRBOAHWDMKOAN-YWBWEDINSA-N
Literature Reference Author H.G.JIN,A.R.KIM,H.J.KO,S.K.LEE,E.R.WOO
Literature Reference Citation CHEM.PHARM.BULL.,62,288(2014)
Literature Reference DOI 10.1248/cpb.c13-00668
Molecular Weight 538.505 g/mol
Solvent CD3OD
Source File Reference UWBT13842