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2-O-TRIGALLOYL-1,3,4,6-TETRAKIS-O-GALLOYL-D-GLUCOPYRANOSE

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2-O-TRIGALLOYL-1,3,4,6-TETRAKIS-O-GALLOYL-D-GLUCOPYRANOSE
SpectraBase Compound ID IKZkJuMFsZn
InChI InChI=1S/C55H40O34/c56-23-1-16(2-24(57)38(23)70)48(75)82-15-37-45(86-51(78)18-5-27(60)40(72)28(61)6-18)46(87-52(79)19-7-29(62)41(73)30(63)8-19)47(55(83-37)89-54(81)20-9-31(64)42(74)32(65)10-20)88-53(80)22-13-35(68)44(36(69)14-22)85-50(77)21-11-33(66)43(34(67)12-21)84-49(76)17-3-25(58)39(71)26(59)4-17/h1-14,37,45-47,55-74H,15H2/t37-,45-,46+,47-,55+/m1/s1
InChIKey SJSBFFHEFYAGQT-YIVDHKKMSA-N
Mol Weight 1244.9 g/mol
Molecular Formula C55H40O34
Exact Mass 1244.140098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QpgWL0y36h
Name 2-O-TRIGALLOYL-1,3,4,6-TETRAKIS-O-GALLOYL-D-GLUCOPYRANOSE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H40O34
InChI InChI=1S/C55H40O34/c56-23-1-16(2-24(57)38(23)70)48(75)82-15-37-45(86-51(78)18-5-27(60)40(72)28(61)6-18)46(87-52(79)19-7-29(62)41(73)30(63)8-19)47(55(83-37)89-54(81)20-9-31(64)42(74)32(65)10-20)88-53(80)22-13-35(68)44(36(69)14-22)85-50(77)21-11-33(66)43(34(67)12-21)84-49(76)17-3-25(58)39(71)26(59)4-17/h1-14,37,45-47,55-74H,15H2/t37-,45-,46+,47-,55+/m1/s1
InChIKey SJSBFFHEFYAGQT-YIVDHKKMSA-N
Literature Reference Author F.E.KANDIL,N.H.EL-SAYED,H.N.MICHEAL,M.S.ISHAK,T.J.MABRY
Literature Reference Citation PHYTOCHEM.,42,1243(1996)
Literature Reference DOI 10.1016/0031-9422(95)00924-8
Molecular Weight 1244.902 g/mol
Solvent ACETONE-D6
Source File Reference UWSI20524