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CINNAMTANNIN-D1;EPICATECHIN-(4-BETA->8;2-BETA->O->7)-EPICATECHIN-(4-BETA->8)-CATECHIN
SpectraBase Compound ID 4kNSBzN4JcI
InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40+,41-,44-,45+/m1/s1
InChIKey BYSRPHRKESMCPO-IJCRGVQFSA-N
Mol Weight 864.8 g/mol
Molecular Formula C45H36O18
Exact Mass 864.190164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFNgJ18apZ7
Name CINNAMTANNIN-D1;EPICATECHIN-(4-BETA->8;2-BETA->O->7)-EPICATECHIN-(4-BETA->8)-CATECHIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H36O18
InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40+,41-,44-,45+/m1/s1
InChIKey BYSRPHRKESMCPO-IJCRGVQFSA-N
Literature Reference Author C.M.WANG,Y.M.HSU,Y.L.JHAN,S.J.TSAI,S.X.LIN,C.H.SU,C.H.CHOU
Literature Reference Citation MOLECULES,20,12787(2015)
Literature Reference DOI 10.3390/molecules200712787
Molecular Weight 864.770 g/mol
Solvent CD3OD
Source File Reference UWPA4084