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MONACANTHIN-A;1,2,3,4-TETRA-O-GALLOYL-6-O-PROTOCATECHUOYL-BETA-D-GLUCOSE

View entire compound with spectra: 1 NMR

MONACANTHIN-A;1,2,3,4-TETRA-O-GALLOYL-6-O-PROTOCATECHUOYL-BETA-D-GLUCOSE
SpectraBase Compound ID GSl36jbDVc2
InChI InChI=1S/C41H32O25/c42-18-2-1-13(3-19(18)43)36(56)61-12-28-33(63-37(57)14-4-20(44)29(52)21(45)5-14)34(64-38(58)15-6-22(46)30(53)23(47)7-15)35(65-39(59)16-8-24(48)31(54)25(49)9-16)41(62-28)66-40(60)17-10-26(50)32(55)27(51)11-17/h1-11,28,33-35,41-55H,12H2/t28-,33-,34+,35-,41+/m1/s1
InChIKey GHKSEKWJXOUEAW-BRDAJWAFSA-N
Mol Weight 924.7 g/mol
Molecular Formula C41H32O25
Exact Mass 924.123267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iNqMoK0qkA
Name MONACANTHIN-A;1,2,3,4-TETRA-O-GALLOYL-6-O-PROTOCATECHUOYL-BETA-D-GLUCOSE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H32O25
InChI InChI=1S/C41H32O25/c42-18-2-1-13(3-19(18)43)36(56)61-12-28-33(63-37(57)14-4-20(44)29(52)21(45)5-14)34(64-38(58)15-6-22(46)30(53)23(47)7-15)35(65-39(59)16-8-24(48)31(54)25(49)9-16)41(62-28)66-40(60)17-10-26(50)32(55)27(51)11-17/h1-11,28,33-35,41-55H,12H2/t28-,33-,34+,35-,41+/m1/s1
InChIKey GHKSEKWJXOUEAW-BRDAJWAFSA-N
Literature Reference Author F.E.KANDIL,M.H.GRACE
Literature Reference Citation PHYTOCHEM.,58,611(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00265-5
Molecular Weight 924.690 g/mol
Solvent ACETONE-D6
Source File Reference UWLU2940