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(2-S)-4',5,7-TRIHYDROXYFLAVAN-(4-BETA->8)-AFZELECHIN
SpectraBase Compound ID 7v2E0DCF2e2
InChI InChI=1S/C30H26O9/c31-16-5-1-14(2-6-16)25-12-20(27-22(35)9-18(33)10-26(27)38-25)28-23(36)13-21(34)19-11-24(37)29(39-30(19)28)15-3-7-17(32)8-4-15/h1-10,13,20,24-25,29,31-37H,11-12H2/t20-,24+,25+,29-/m1/s1
InChIKey FWNROEJRQURIKY-VGGRNRAKSA-N
Mol Weight 530.53 g/mol
Molecular Formula C30H26O9
Exact Mass 530.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AMiL56eNfE
Name (2-S)-4',5,7-TRIHYDROXYFLAVAN-(4-BETA->8)-AFZELECHIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H26O9
InChI InChI=1S/C30H26O9/c31-16-5-1-14(2-6-16)25-12-20(27-22(35)9-18(33)10-26(27)38-25)28-23(36)13-21(34)19-11-24(37)29(39-30(19)28)15-3-7-17(32)8-4-15/h1-10,13,20,24-25,29,31-37H,11-12H2/t20-,24+,25+,29-/m1/s1
InChIKey FWNROEJRQURIKY-VGGRNRAKSA-N
Literature Reference Author M.S.PESCA,F.D.PIAZ,R.SANOGO,A.VASSALLO,M.B.D.ABREU,A.RAPISAR DA,M.P.GERMANO,G.CER
Literature Reference Citation J.NAT.PROD.,76,29(2013)
Literature Reference DOI 10.1021/np300614u
Molecular Weight 530.531 g/mol
Sample ID 41009
Solvent CD3OD