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4,11-DI-O-GALLOYLBERGENIN

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4,11-DI-O-GALLOYLBERGENIN
SpectraBase Compound ID AbXwPiPPnwt
InChI InChI=1S/C28H24O17/c1-41-22-15(33)6-10-17(21(22)37)23-25(45-28(10)40)24(44-27(39)9-4-13(31)19(35)14(32)5-9)20(36)16(43-23)7-42-26(38)8-2-11(29)18(34)12(30)3-8/h2-6,16,20,23-25,29-37H,7H2,1H3/t16-,20-,23+,24+,25+/m0/s1
InChIKey LASUFZXDCFZCRI-FNDNYAFKSA-N
Mol Weight 632.48 g/mol
Molecular Formula C28H24O17
Exact Mass 632.101349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXIvflc5Wwm
Name 4,11-DI-O-GALLOYLBERGENIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O17
InChI InChI=1S/C28H24O17/c1-41-22-15(33)6-10-17(21(22)37)23-25(45-28(10)40)24(44-27(39)9-4-13(31)19(35)14(32)5-9)20(36)16(43-23)7-42-26(38)8-2-11(29)18(34)12(30)3-8/h2-6,16,20,23-25,29-37H,7H2,1H3/t16-,20-,23+,24+,25+/m0/s1
InChIKey LASUFZXDCFZCRI-FNDNYAFKSA-N
Literature Reference Author R.SAIJO,G.I.NONAKA,I.NISHIOKA
Literature Reference Citation PHYTOCHEM.,29,267(1990)
Literature Reference DOI 10.1016/0031-9422(90)89047-D
Molecular Weight 632.488 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ25618