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(4-ALPHA->8)-BIS-4'-O-METHYLGALLOCATECHIN;ROTAMER_1

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(4-ALPHA->8)-BIS-4'-O-METHYLGALLOCATECHIN;ROTAMER_1
SpectraBase Compound ID DbD2CnIE8lV
InChI InChI=1S/C32H30O14/c1-43-31-18(37)3-11(4-19(31)38)28-22(41)9-14-15(34)10-17(36)25(30(14)46-28)26-24-16(35)7-13(33)8-23(24)45-29(27(26)42)12-5-20(39)32(44-2)21(40)6-12/h3-8,10,22,26-29,33-42H,9H2,1-2H3/t22-,26-,27-,28+,29+/m0/s1
InChIKey ISROEXZIVCZASE-AVFWISQGSA-N
Mol Weight 638.6 g/mol
Molecular Formula C32H30O14
Exact Mass 638.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VYfkBJfNZZ
Name (4-ALPHA->8)-BIS-4'-O-METHYLGALLOCATECHIN;ROTAMER_1
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30O14
InChI InChI=1S/C32H30O14/c1-43-31-18(37)3-11(4-19(31)38)28-22(41)9-14-15(34)10-17(36)25(30(14)46-28)26-24-16(35)7-13(33)8-23(24)45-29(27(26)42)12-5-20(39)32(44-2)21(40)6-12/h3-8,10,22,26-29,33-42H,9H2,1-2H3/t22-,26-,27-,28+,29+/m0/s1
InChIKey ISROEXZIVCZASE-AVFWISQGSA-N
Literature Reference Author C.A.SCHMIDT,R.MURILLO,B.HEINZMANN,S.LAUFER,V.WRAY,I.MERFORT
Literature Reference Citation J.NAT.PROD.,74,1427(2011)
Literature Reference DOI 10.1021/np200158g
Molecular Weight 638.582 g/mol
Sample ID 38453
Solvent CD3OD