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2,4-TRANS-6,4'-DIHYDROXY-FLAVAN-4-OL-5-SULFATE

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2,4-TRANS-6,4'-DIHYDROXY-FLAVAN-4-OL-5-SULFATE
SpectraBase Compound ID DOLCzGT3T43
InChI InChI=1S/C15H14O8S/c16-9-3-1-8(2-4-9)13-7-11(18)14-12(22-13)6-5-10(17)15(14)23-24(19,20)21/h1-6,11,13,16-18H,7H2,(H,19,20,21)/t11-,13+/m1/s1
InChIKey WHQKVWDKSNGALU-YPMHNXCESA-N
Mol Weight 354.33 g/mol
Molecular Formula C15H14O8S
Exact Mass 354.040939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Di3lpq4DBmQ
Name 2,4-TRANS-6,4'-DIHYDROXY-FLAVAN-4-OL-5-SULFATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14O8S
InChI InChI=1S/C15H14O8S/c16-9-3-1-8(2-4-9)13-7-11(18)14-12(22-13)6-5-10(17)15(14)23-24(19,20)21/h1-6,11,13,16-18H,7H2,(H,19,20,21)/t11-,13+/m1/s1
InChIKey WHQKVWDKSNGALU-YPMHNXCESA-N
Literature Reference Author J.R.MIKELL,W.HERATH,I.A.KHAN
Literature Reference Citation CHEM.PHARM.BULL.,63,579(2015)
Literature Reference DOI 10.1248/cpb.c15-00037
Molecular Weight 354.331 g/mol
Solvent CD3OD
Source File Reference UWPA10092