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PROCYANIDIN-B2;EPICATECHIN-4-BETA-8-EPICATECHIN;EXTENDED
SpectraBase Compound ID 4VsLhCbSYqC
InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
InChIKey XFZJEEAOWLFHDH-NFJBMHMQSA-N
Mol Weight 578.53 g/mol
Molecular Formula C30H26O12
Exact Mass 578.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gMs6V32qZX
Name EPICATECHIN-4-BETA,8-EPICATECHIN;MAJOR-ISOMER
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O12
InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
InChIKey XFZJEEAOWLFHDH-NFJBMHMQSA-N
Literature Reference Author I.TARASCOU,K.BARATHIEU,Y.ANDRE,I.PIANET,E.J.DUFOURC,E.FOUQUE T
Literature Reference Citation EUR.J.ORG.CHEM.,5367(2006)
Molecular Weight 578.529 g/mol
Sample ID 44620
Solvent H2O:D2O=9:1