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SILYBIN-23-O-BETA-D-GALACTOPYRANOSIDE

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SILYBIN-23-O-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 9Hf7uv7Wwvn
InChI InChI=1S/C31H32O15/c1-41-18-6-12(2-4-15(18)34)29-22(11-42-31-28(40)26(38)24(36)21(10-32)46-31)43-17-5-3-13(7-19(17)44-29)30-27(39)25(37)23-16(35)8-14(33)9-20(23)45-30/h2-9,21-22,24,26-36,38-40H,10-11H2,1H3/t21-,22?,24+,26-,27+,28-,29?,30-,31-/m1/s1
InChIKey BEEFBJXLRJLWOM-ORHAIQCXSA-N
Mol Weight 644.6 g/mol
Molecular Formula C31H32O15
Exact Mass 644.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tEA5Aqm4Dk
Name SILYBIN-23-O-BETA-D-GALACTOPYRANOSIDE
Compound Number 3B-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H32O15
InChI InChI=1S/C31H32O15/c1-41-18-6-12(2-4-15(18)34)29-22(11-42-31-28(40)26(38)24(36)21(10-32)46-31)43-17-5-3-13(7-19(17)44-29)30-27(39)25(37)23-16(35)8-14(33)9-20(23)45-30/h2-9,21-22,24,26-36,38-40H,10-11H2,1H3/t21-,22?,24+,26-,27+,28-,29?,30-,31-/m1/s1
InChIKey BEEFBJXLRJLWOM-ORHAIQCXSA-N
Literature Reference Author V.KREN,J.KUBISCH,P.SEDMERA,P.HALADA,L.CVAK,R.GEBHARDT,J.ULRI CHOVA,V.SIMANEK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2467(1997)
Literature Reference DOI 10.1039/a703283h
Molecular Weight 644.586 g/mol
Solvent CD3OD