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6-8-(ETHANE-1,1-DIYL)-DI-(+)-CATECHIN

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6-8-(ETHANE-1,1-DIYL)-DI-(+)-CATECHIN
SpectraBase Compound ID CU3uO09x0Fh
InChI InChI=1S/C32H30O12/c1-12(27-23(39)11-26-16(29(27)42)9-25(41)30(43-26)13-2-4-17(33)20(36)6-13)28-22(38)10-19(35)15-8-24(40)31(44-32(15)28)14-3-5-18(34)21(37)7-14/h2-7,10-12,24-25,30-31,33-42H,8-9H2,1H3/t12?,24-,25+,30-,31+/m0/s1
InChIKey DNIASLNHDTUVKT-XLICEPAVSA-N
Mol Weight 606.6 g/mol
Molecular Formula C32H30O12
Exact Mass 606.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LL20cggYRG
Name 6-8-(ETHANE-1,1-DIYL)-DI-(+)-CATECHIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30O12
InChI InChI=1S/C32H30O12/c1-12(27-23(39)11-26-16(29(27)42)9-25(41)30(43-26)13-2-4-17(33)20(36)6-13)28-22(38)10-19(35)15-8-24(40)31(44-32(15)28)14-3-5-18(34)21(37)7-14/h2-7,10-12,24-25,30-31,33-42H,8-9H2,1H3/t12?,24-,25+,30-,31+/m0/s1
InChIKey DNIASLNHDTUVKT-XLICEPAVSA-N
Literature Reference Author C.SAUCIER,C.GUERRA,I.PIANET,M.LAGUERRE,Y.GLORIES
Literature Reference Citation PHYTOCHEM.,46,229(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00268-9
Molecular Weight 606.583 g/mol
Sample ID 44829
Solvent CD3OD