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SILYBIN-23-O-BETA-LACTOSIDE;DIASTEREOISOMER-#1
SpectraBase Compound ID A9fJ4A8mCXD
InChI InChI=1S/C37H42O20/c1-50-19-6-13(2-4-16(19)41)33-24(12-51-36-32(49)30(47)35(23(11-39)56-36)57-37-31(48)28(45)26(43)22(10-38)55-37)52-18-5-3-14(7-20(18)53-33)34-29(46)27(44)25-17(42)8-15(40)9-21(25)54-34/h2-9,22-24,26,28-43,45-49H,10-12H2,1H3/t22-,23+,24?,26+,28+,29-,30+,31-,32+,33?,34?,35+,36+,37+/m0/s1
InChIKey KRUWIRPGVLMSMV-PQXXBFEMSA-N
Mol Weight 806.7 g/mol
Molecular Formula C37H42O20
Exact Mass 806.226944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dcuajdBEKe
Name SILYBIN-23-O-BETA-LACTOSIDE;DIASTEREOISOMER-#1
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H42O20
InChI InChI=1S/C37H42O20/c1-50-19-6-13(2-4-16(19)41)33-24(12-51-36-32(49)30(47)35(23(11-39)56-36)57-37-31(48)28(45)26(43)22(10-38)55-37)52-18-5-3-14(7-20(18)53-33)34-29(46)27(44)25-17(42)8-15(40)9-21(25)54-34/h2-9,22-24,26,28-43,45-49H,10-12H2,1H3/t22-,23+,24?,26+,28+,29-,30+,31-,32+,33?,34?,35+,36+,37+/m0/s1
InChIKey KRUWIRPGVLMSMV-PQXXBFEMSA-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 806.728 g/mol
Solvent CD3OD
Source File Reference UWKP2611