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PRUNASIN-2',3',6'-TRI-O-GALLATE

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PRUNASIN-2',3',6'-TRI-O-GALLATE
SpectraBase Compound ID AlQbgIWUngH
InChI InChI=1S/C35H29NO18/c36-12-24(14-4-2-1-3-5-14)51-35-31(54-34(49)17-10-22(41)28(45)23(42)11-17)30(53-33(48)16-8-20(39)27(44)21(40)9-16)29(46)25(52-35)13-50-32(47)15-6-18(37)26(43)19(38)7-15/h1-11,24-25,29-31,35,37-46H,13H2/t24-,25-,29-,30+,31-,35-/m0/s1
InChIKey FRJZZYJNOPWETO-YMLKEZFRSA-N
Mol Weight 751.6 g/mol
Molecular Formula C35H29NO18
Exact Mass 751.138463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MY2bxexkdr
Name PRUNASIN-2',3',6'-TRI-O-GALLATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H29NO18
InChI InChI=1S/C35H29NO18/c36-12-24(14-4-2-1-3-5-14)51-35-31(54-34(49)17-10-22(41)28(45)23(42)11-17)30(53-33(48)16-8-20(39)27(44)21(40)9-16)29(46)25(52-35)13-50-32(47)15-6-18(37)26(43)19(38)7-15/h1-11,24-25,29-31,35,37-46H,13H2/t24-,25-,29-,30+,31-,35-/m0/s1
InChIKey FRJZZYJNOPWETO-YMLKEZFRSA-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 751.611 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2733