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(+)-catechin-7-o-.beta.,D-apiofuranoside

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-catechin-7-o-.beta.,D-apiofuranoside
SpectraBase Compound ID CBFecVVmWa7
InChI InChI=1S/C20H22O10/c21-7-20(27)8-28-19(18(20)26)29-10-4-13(23)11-6-15(25)17(30-16(11)5-10)9-1-2-12(22)14(24)3-9/h1-5,15,17-19,21-27H,6-8H2/t15-,17+,18?,19?,20?/m0/s1
InChIKey OZEIRJMOKXRLCR-IOZSCNHVSA-N
Mol Weight 422.39 g/mol
Molecular Formula C20H22O10
Exact Mass 422.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IOJ99FcgGu
Name (+)-catechin-7-o-.beta.,D-apiofuranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.121296898 u
Formula C20H22O10
InChI InChI=1S/C20H22O10/c21-7-20(27)8-28-19(18(20)26)29-10-4-13(23)11-6-15(25)17(30-16(11)5-10)9-1-2-12(22)14(24)3-9/h1-5,15,17-19,21-27H,6-8H2/t15-,17+,18?,19?,20?/m0/s1
InChIKey OZEIRJMOKXRLCR-IOZSCNHVSA-N
Molecular Weight 422.386 g/mol
SMILES C=12O[C@@]([C@](CC2=C(O)C=C(C1)OC1C(C(O)(CO)CO1)O)(O)[H])(C=1C=C(O)C(=CC1)O)[H]