John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3qIUfjShrI SpectraBase Spectrum ID=10ovPYwwGoe

(accessed ).
SEGUINOSIDE-E;2'-O-BETA-D-APIOFURANOSYLARBUTIN-5''-O-(4'''-HYDROXY-3'''-METHOXY)-BENZOIC-ACID-ESTER
SpectraBase Compound ID 3qIUfjShrI
InChI InChI=1S/C25H30O14/c1-34-16-8-12(2-7-15(16)28)22(32)35-10-25(33)11-36-24(21(25)31)39-20-19(30)18(29)17(9-26)38-23(20)37-14-5-3-13(27)4-6-14/h2-8,17-21,23-24,26-31,33H,9-11H2,1H3/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
InChIKey QHRHKYAZXRNVAA-KXQNOTADSA-N
Mol Weight 554.5 g/mol
Molecular Formula C25H30O14
Exact Mass 554.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10ovPYwwGoe
Name SEGUINOSIDE-E;2'-O-BETA-D-APIOFURANOSYLARBUTIN-5''-O-(4'''-HYDROXY-3'''-METHOXY)-BENZOIC-ACID-ESTER
Compound Number 6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H30O14
InChI InChI=1S/C25H30O14/c1-34-16-8-12(2-7-15(16)28)22(32)35-10-25(33)11-36-24(21(25)31)39-20-19(30)18(29)17(9-26)38-23(20)37-14-5-3-13(27)4-6-14/h2-8,17-21,23-24,26-31,33H,9-11H2,1H3/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
InChIKey QHRHKYAZXRNVAA-KXQNOTADSA-N
Literature Reference Author X.N.ZHONG,H.OTSUKA,T.IDE,E.HIRATA,A.TAKUSHI,Y.TAKEDA
Literature Reference Citation PHYTOCHEM.,49,2149(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00384-7
Molecular Weight 554.505 g/mol
Solvent CD3OD
Source File Reference UWLU943
SpectraBase Batch ID LDJwqBaR0hO