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4'-O-BETA-D-GLUCOPYRANOSYL-ISORINIC-ACID;2R-O-(4'-O-BETA-D-GLUCOPYRANOSYL-CAFFEOYL)-3-(4-HYDROXYPHENYL)-LACTIC-ACID
SpectraBase Compound ID AgjNItYy7iA
InChI InChI=1S/C24H26O12/c25-11-18-20(29)21(30)22(31)24(36-18)35-16-7-3-12(9-15(16)27)4-8-19(28)34-17(23(32)33)10-13-1-5-14(26)6-2-13/h1-9,17-18,20-22,24-27,29-31H,10-11H2,(H,32,33)/b8-4+/t17-,18-,20-,21+,22-,24-/m0/s1
InChIKey IEKYAKKHBPRYBQ-GRZJTUOXSA-N
Mol Weight 506.46 g/mol
Molecular Formula C24H26O12
Exact Mass 506.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcCTbVDXB0m
Name 4'-O-BETA-D-GLUCOPYRANOSYL-ISORINIC-ACID;2R-O-(4'-O-BETA-D-GLUCOPYRANOSYL-CAFFEOYL)-3-(4-HYDROXYPHENYL)-LACTIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26O12
InChI InChI=1S/C24H26O12/c25-11-18-20(29)21(30)22(31)24(36-18)35-16-7-3-12(9-15(16)27)4-8-19(28)34-17(23(32)33)10-13-1-5-14(26)6-2-13/h1-9,17-18,20-22,24-27,29-31H,10-11H2,(H,32,33)/b8-4+/t17-,18-,20-,21+,22-,24-/m0/s1
InChIKey IEKYAKKHBPRYBQ-GRZJTUOXSA-N
Literature Reference Author T.SATAKE,K.KAMIYA,Y.SAIKI,T.HAMA,Y.FUJIMOTO,S.KITANAKA,Y.KIM URA,J.UZAWA,H.ENDANG
Literature Reference Citation CHEM.PHARM.BULL.,47,1444(1999)
Literature Reference DOI 10.1248/cpb.47.1444
Molecular Weight 506.463 g/mol
Solvent DMSO-D6
Source File Reference UWLU8329