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ACTEOSIDE-PERACETATE
SpectraBase Compound ID C7uWWHZFWqz
InChI InChI=1S/C47H54O24/c1-22-40(65-28(7)53)42(66-29(8)54)45(68-31(10)56)47(60-22)71-43-41(70-39(57)16-13-32-11-14-34(61-24(3)49)36(19-32)63-26(5)51)38(21-59-23(2)48)69-46(44(43)67-30(9)55)58-18-17-33-12-15-35(62-25(4)50)37(20-33)64-27(6)52/h11-16,19-20,22,38,40-47H,17-18,21H2,1-10H3/b16-13+/t22-,38+,40+,41+,42-,43-,44+,45-,46+,47+/m1/s1
InChIKey JQWLTUXXXNYBQJ-MFNDQKJMSA-N
Mol Weight 1002.9 g/mol
Molecular Formula C47H54O24
Exact Mass 1002.300503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VdHwFu9pbp
Name ACTEOSIDE-PERACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H54O24
InChI InChI=1S/C47H54O24/c1-22-40(65-28(7)53)42(66-29(8)54)45(68-31(10)56)47(60-22)71-43-41(70-39(57)16-13-32-11-14-34(61-24(3)49)36(19-32)63-26(5)51)38(21-59-23(2)48)69-46(44(43)67-30(9)55)58-18-17-33-12-15-35(62-25(4)50)37(20-33)64-27(6)52/h11-16,19-20,22,38,40-47H,17-18,21H2,1-10H3/b16-13+/t22-,38+,40+,41+,42-,43-,44+,45-,46+,47+/m1/s1
InChIKey JQWLTUXXXNYBQJ-MFNDQKJMSA-N
Literature Reference Author M.F.LAHLOUB,A.M.ZAGHLOUL,S.A.EL-KHAYAAT,M.S.AFIFI,O.STICHER
Literature Reference Citation PLANTA.MED.,57,481(1991)
Literature Reference DOI 10.1055/s-2006-960177
Molecular Weight 1002.931 g/mol
Solvent CDCl3
Source File Reference UIAP209