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#3;(3R,4R)-4-(3,4-DIMETHOXYBENZYL)-3-(4-[[6-(4-[[(3R,4R)-4-(3,4-DIMETHOXYBENZYL)-2-OXOTETRAHYDRO-3-FURANYL]-METHYL]-2-METHOXYPHENOXY)-4,5-DIHYDROXY-2-(HYDROXYM
SpectraBase Compound ID KtZ4saWn2lR
InChI InChI=1S/C54H66O21/c1-63-35-11-7-27(19-39(35)65-3)15-31-25-69-51(61)33(31)17-29-9-13-37(41(21-29)67-5)71-53-47(59)45(57)49(43(23-55)73-53)75-50-44(24-56)74-54(48(60)46(50)58)72-38-14-10-30(22-42(38)68-6)18-34-32(26-70-52(34)62)16-28-8-12-36(64-2)40(20-28)66-4/h7-14,19-22,31-34,43-50,53-60H,15-18,23-26H2,1-6H3/t31-,32+,33+,34-,43-,44+,45-,46+,47-,48+,49-,50+,53-,54+
InChIKey IFIOIJQEINGWEN-KCNQCMCLSA-N
Mol Weight 1051.1 g/mol
Molecular Formula C54H66O21
Exact Mass 1050.409659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEeCxtJtdeE
Name #3;(3R,4R)-4-(3,4-DIMETHOXYBENZYL)-3-(4-[[6-(4-[[(3R,4R)-4-(3,4-DIMETHOXYBENZYL)-2-OXOTETRAHYDRO-3-FURANYL]-METHYL]-2-METHOXYPHENOXY)-4,5-DIHYDROXY-2-(HYDROXYM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H66O21
InChI InChI=1S/C54H66O21/c1-63-35-11-7-27(19-39(35)65-3)15-31-25-69-51(61)33(31)17-29-9-13-37(41(21-29)67-5)71-53-47(59)45(57)49(43(23-55)73-53)75-50-44(24-56)74-54(48(60)46(50)58)72-38-14-10-30(22-42(38)68-6)18-34-32(26-70-52(34)62)16-28-8-12-36(64-2)40(20-28)66-4/h7-14,19-22,31-34,43-50,53-60H,15-18,23-26H2,1-6H3/t31-,32+,33+,34-,43-,44+,45-,46+,47-,48+,49-,50+,53-,54+
InChIKey IFIOIJQEINGWEN-KCNQCMCLSA-N
Literature Reference Author A.N.KHAN,I.FATIMA,U.A.KHALIQ,A.MALIK,G.A.MIANA,Z.U.R.QURESHI ,H.RASHEED
Literature Reference Citation MOLECULES,16,2053(2011)
Literature Reference DOI 10.3390/molecules16032053
Molecular Weight 1051.105 g/mol
Sample ID 13
Solvent CD3OD