John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Bye2MRcy2cj SpectraBase Spectrum ID=2vhI3Oqf1FW

(accessed ).
PARA-HYDROXYPHENYL-6-O-TRANS-CAFFEOYL-BETA-D-ALLOPYRANOSIDE
SpectraBase Compound ID Bye2MRcy2cj
InChI InChI=1S/C21H22O10/c22-12-3-5-13(6-4-12)30-21-20(28)19(27)18(26)16(31-21)10-29-17(25)8-2-11-1-7-14(23)15(24)9-11/h1-9,16,18-24,26-28H,10H2/b8-2+/t16-,18-,19-,20-,21-/m0/s1
InChIKey OONDLKCAZJZRCW-LUTKQKEVSA-N
Mol Weight 434.4 g/mol
Molecular Formula C21H22O10
Exact Mass 434.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vhI3Oqf1FW
Name PARA-HYDROXYPHENYL-6-O-TRANS-CAFFEOYL-BETA-D-ALLOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O10
InChI InChI=1S/C21H22O10/c22-12-3-5-13(6-4-12)30-21-20(28)19(27)18(26)16(31-21)10-29-17(25)8-2-11-1-7-14(23)15(24)9-11/h1-9,16,18-24,26-28H,10H2/b8-2+/t16-,18-,19-,20-,21-/m0/s1
InChIKey OONDLKCAZJZRCW-LUTKQKEVSA-N
Literature Reference Author K.MACHIDA,Y.NAKANO,M.KIKUCHI
Literature Reference Citation PHYTOCHEM.,30,2013(1991)
Literature Reference DOI 10.1016/0031-9422(91)85058-8
Molecular Weight 434.400 g/mol
Solvent CD3OD
Source File Reference UWLU27674
SpectraBase Batch ID A1RRt4cIgLy