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PRUNASIN-2',3',4',6'-TETRA-O-GALLATE

View entire compound with spectra: 1 NMR

PRUNASIN-2',3',4',6'-TETRA-O-GALLATE
SpectraBase Compound ID Lf3x8P6DqZo
InChI InChI=1S/C42H33NO22/c43-14-29(16-4-2-1-3-5-16)61-42-37(65-41(59)20-12-27(50)34(55)28(51)13-20)36(64-40(58)19-10-25(48)33(54)26(49)11-19)35(63-39(57)18-8-23(46)32(53)24(47)9-18)30(62-42)15-60-38(56)17-6-21(44)31(52)22(45)7-17/h1-13,29-30,35-37,42,44-55H,15H2/t29-,30-,35-,36+,37-,42-/m1/s1
InChIKey KSEDHRVLAZVJHD-JMEALBCQSA-N
Mol Weight 903.7 g/mol
Molecular Formula C42H33NO22
Exact Mass 903.149422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLs4FpHHuM
Name PRUNASIN-2',3',4',6'-TETRA-O-GALLATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H33NO22
InChI InChI=1S/C42H33NO22/c43-14-29(16-4-2-1-3-5-16)61-42-37(65-41(59)20-12-27(50)34(55)28(51)13-20)36(64-40(58)19-10-25(48)33(54)26(49)11-19)35(63-39(57)18-8-23(46)32(53)24(47)9-18)30(62-42)15-60-38(56)17-6-21(44)31(52)22(45)7-17/h1-13,29-30,35-37,42,44-55H,15H2/t29-,30-,35-,36+,37-,42-/m1/s1
InChIKey KSEDHRVLAZVJHD-JMEALBCQSA-N
Literature Reference Author S.K.LING,T.TANAKA,I.KOUNO
Literature Reference Citation J.NAT.PROD.,65,131(2002)
Literature Reference DOI 10.1021/np010393v
Molecular Weight 903.718 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2735