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SMIGLABRONE-B;EPICATECHIN-(7,8-BC)-4-ALPHA-(3-METHOXY-4-HYDROXY-PHENYL)-DIHYDRO-2(3H)-PYRANONE
SpectraBase Compound ID 5CopgLsw6CA
InChI InChI=1S/C25H22O9/c1-32-20-7-11(2-5-16(20)27)13-9-22(31)33-21-10-17(28)14-8-19(30)24(34-25(14)23(13)21)12-3-4-15(26)18(29)6-12/h2-7,10,13,19,24,26-30H,8-9H2,1H3/t13-,19-,24-/m1/s1
InChIKey MNORVMTUMRZQKH-SGZOZZLJSA-N
Mol Weight 466.44 g/mol
Molecular Formula C25H22O9
Exact Mass 466.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KluTonJcTr1
Name SMIGLABRONE-B;EPICATECHIN-(7,8-BC)-4-ALPHA-(3-METHOXY-4-HYDROXY-PHENYL)-DIHYDRO-2(3H)-PYRANONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22O9
InChI InChI=1S/C25H22O9/c1-32-20-7-11(2-5-16(20)27)13-9-22(31)33-21-10-17(28)14-8-19(30)24(34-25(14)23(13)21)12-3-4-15(26)18(29)6-12/h2-7,10,13,19,24,26-30H,8-9H2,1H3/t13-,19-,24-/m1/s1
InChIKey MNORVMTUMRZQKH-SGZOZZLJSA-N
Literature Reference Author S.XU,M.Y.SHANG,G.X.LIU,F.XU,X.WANG,C.C.SHOU,S.Q.CAI
Literature Reference Citation MOLECULES,18,5265(2013)
Literature Reference DOI 10.3390/molecules18055265
Molecular Weight 466.444 g/mol
Solvent CD3OD
Source File Reference UWBT9211