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#3B;4-[(2',3',4,',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-(1'->5)-(7-O-ACETYL-2,6-ANHYDRO-1,3,4-TRIDEOXY-ALPHA/BETA-D-ERYTHRO-HEPT-3-ENITOL-1-YL)]-IODOBENZEN

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#3B;4-[(2',3',4,',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-(1'->5)-(7-O-ACETYL-2,6-ANHYDRO-1,3,4-TRIDEOXY-ALPHA/BETA-D-ERYTHRO-HEPT-3-ENITOL-1-YL)]-IODOBENZEN
SpectraBase Compound ID 50ieoA5yaP1
InChI InChI=1S/2C29H35IO13/c2*1-15(31)36-13-24-23(11-10-22(41-24)12-20-6-8-21(30)9-7-20)42-29-28(40-19(5)35)27(39-18(4)34)26(38-17(3)33)25(43-29)14-37-16(2)32/h2*6-11,22-29H,12-14H2,1-5H3/t22-,23+,24-,25+,26-,27-,28+,29-;22-,23-,24+,25-,26+,27+,28-,29+/m01/s1
InChIKey JKMMTOLICYKGPM-WLYZVTJTSA-N
Mol Weight 1437.0 g/mol
Molecular Formula C58H70I2O26
Exact Mass 1436.224472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpOaBS4TCng
Name #3B;4-[(2',3',4,',6'-TETRA-O-ACETYL-ALPHA-D-GLUCOPYRANOSYL)-(1'->5)-(7-O-ACETYL-2,6-ANHYDRO-1,3,4-TRIDEOXY-ALPHA/BETA-D-ERYTHRO-HEPT-3-ENITOL-1-YL)]-IODOBENZEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H70I2O26
InChI InChI=1S/2C29H35IO13/c2*1-15(31)36-13-24-23(11-10-22(41-24)12-20-6-8-21(30)9-7-20)42-29-28(40-19(5)35)27(39-18(4)34)26(38-17(3)33)25(43-29)14-37-16(2)32/h2*6-11,22-29H,12-14H2,1-5H3/t22-,23+,24-,25+,26-,27-,28+,29-;22-,23-,24+,25-,26+,27+,28-,29+/m01/s1
InChIKey JKMMTOLICYKGPM-WLYZVTJTSA-N
Literature Reference Author A.J.PEARCE,S.RAMAYA,S.N.THORN,G.B.BLOOMBERG,D.S.WALTER,T.GAL LAGHER
Literature Reference Citation J.ORG.CHEM.,64,5453(1999)
Literature Reference DOI 10.1021/jo990253e
Molecular Weight 1436.987 g/mol
Sample ID 41277
Solvent CDCl3