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CINNAMTANNIN_D-1

View entire compound with spectra: 3 NMR

CINNAMTANNIN_D-1
SpectraBase Compound ID JOTUCaJkXX4
InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1
InChIKey BYSRPHRKESMCPO-HMQYECKYSA-N
Mol Weight 864.8 g/mol
Molecular Formula C45H36O18
Exact Mass 864.190164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24vI4DP6GGu
Name CINNAMTANNIN_D-1
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H36O18
InChI InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1
InChIKey BYSRPHRKESMCPO-HMQYECKYSA-N
Literature Reference Author K.B.KILLDAY,M.H.DAVEY,J.A.GLINSKI,P.DUAN,R.VELURI,G.PRONI,F. J.DAUGHERTY,M.S.TEMP
Literature Reference Citation J.NAT.PROD.,74,1833(2011)
Literature Reference DOI 10.1021/np1007944
Molecular Weight 864.770 g/mol
Sample ID 39172
Solvent CD3OD