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3,4,11-TRI-O-GALLOYLBERGENIN

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3,4,11-TRI-O-GALLOYLBERGENIN
SpectraBase Compound ID Kmd3wicSve
InChI InChI=1S/C35H28O21/c1-51-27-20(42)8-13-22(26(27)46)29-31(56-35(13)50)30(55-34(49)12-6-18(40)25(45)19(41)7-12)28(54-33(48)11-4-16(38)24(44)17(39)5-11)21(53-29)9-52-32(47)10-2-14(36)23(43)15(37)3-10/h2-8,21,28-31,36-46H,9H2,1H3/t21-,28-,29+,30+,31+/m0/s1
InChIKey ZBKSAJKWSCCOPR-PTYONJNDSA-N
Mol Weight 784.6 g/mol
Molecular Formula C35H28O21
Exact Mass 784.112308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6P0EpRKJNwE
Name 3,4,11-TRI-O-GALLOYLBERGENIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28O21
InChI InChI=1S/C35H28O21/c1-51-27-20(42)8-13-22(26(27)46)29-31(56-35(13)50)30(55-34(49)12-6-18(40)25(45)19(41)7-12)28(54-33(48)11-4-16(38)24(44)17(39)5-11)21(53-29)9-52-32(47)10-2-14(36)23(43)15(37)3-10/h2-8,21,28-31,36-46H,9H2,1H3/t21-,28-,29+,30+,31+/m0/s1
InChIKey ZBKSAJKWSCCOPR-PTYONJNDSA-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 784.595 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWMZ25619