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acetic acid [2-acetoxy-4-[2-[[(2R,3R,4R,5R,6R)-3-acetoxy-6-[4-acetoxy-2-(acetoxymethyl)but-2-enoxy]-4,5-bis[[2-(3,4-diacetoxyphenyl)acetyl]oxy]tetrahydropyran-2-yl]methoxy]-2-keto-ethyl]phenyl] ester
SpectraBase Compound ID IIusCETedcO
InChI InChI=1S/C53H56O26/c1-27(54)66-17-16-39(24-67-28(2)55)25-69-53-52(79-49(65)23-38-12-15-42(72-31(5)58)45(20-38)75-34(8)61)51(78-48(64)22-37-11-14-41(71-30(4)57)44(19-37)74-33(7)60)50(76-35(9)62)46(77-53)26-68-47(63)21-36-10-13-40(70-29(3)56)43(18-36)73-32(6)59/h10-16,18-20,46,50-53H,17,21-26H2,1-9H3/b39-16+/t46-,50-,51-,52-,53-/m1/s1
InChIKey UXEUZDSWRAMKAI-BPCZNJMNSA-N
Mol Weight 1109.0 g/mol
Molecular Formula C53H56O26
Exact Mass 1108.305982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gV0AwSHls6
Name acetic acid [2-acetoxy-4-[2-[[(2R,3R,4R,5R,6R)-3-acetoxy-6-[4-acetoxy-2-(acetoxymethyl)but-2-enoxy]-4,5-bis[[2-(3,4-diacetoxyphenyl)acetyl]oxy]tetrahydropyran-2-yl]methoxy]-2-keto-ethyl]phenyl] ester
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H56O26
InChI InChI=1S/C53H56O26/c1-27(54)66-17-16-39(24-67-28(2)55)25-69-53-52(79-49(65)23-38-12-15-42(72-31(5)58)45(20-38)75-34(8)61)51(78-48(64)22-37-11-14-41(71-30(4)57)44(19-37)74-33(7)60)50(76-35(9)62)46(77-53)26-68-47(63)21-36-10-13-40(70-29(3)56)43(18-36)73-32(6)59/h10-16,18-20,46,50-53H,17,21-26H2,1-9H3/b39-16+/t46-,50-,51-,52-,53-/m1/s1
InChIKey UXEUZDSWRAMKAI-BPCZNJMNSA-N
Literature Reference Author M.TOYOTA,Y.OISO,Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,49,1567(2001)
Literature Reference DOI 10.1248/cpb.49.1567
Molecular Weight 1109.012 g/mol
Solvent CDCl3
Source File Reference UWVN29074