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#29;ACETIC-ACID-(1R,3S)-3-ACETOXY-1-[(2R,6S)-6-(2-ACETOXYETHYL)-TETRAHYDROPYRAN-2-YLMETHYL]-4-[(2R,3S,6R,8S,9S)-8-[(1S,2S,3S)-1,2-DIACETOXY-4-(4-METHOXYBENZYLO
SpectraBase Compound ID Cf6OgB31YP
InChI InChI=1S/C46H68O16/c1-28-17-20-46(61-42(28)25-40(57-32(5)49)24-39(56-31(4)48)23-38-12-10-11-37(60-38)19-22-55-30(3)47)21-18-41(53-9)44(62-46)45(59-34(7)51)43(58-33(6)50)29(2)26-54-27-35-13-15-36(52-8)16-14-35/h13-17,20,28-29,37-45H,10-12,18-19,21-27H2,1-9H3/t28-,29-,37+,38-,39+,40+,41+,42+,43-,44+,45-,46+/m0/s1
InChIKey LPRMRZQTOLNBNV-QJWWYRQBSA-N
Mol Weight 877.0 g/mol
Molecular Formula C46H68O16
Exact Mass 876.450736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62N7sR8ises
Name #29;ACETIC-ACID-(1R,3S)-3-ACETOXY-1-[(2R,6S)-6-(2-ACETOXYETHYL)-TETRAHYDROPYRAN-2-YLMETHYL]-4-[(2R,3S,6R,8S,9S)-8-[(1S,2S,3S)-1,2-DIACETOXY-4-(4-METHOXYBENZYLO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H68O16
InChI InChI=1S/C46H68O16/c1-28-17-20-46(61-42(28)25-40(57-32(5)49)24-39(56-31(4)48)23-38-12-10-11-37(60-38)19-22-55-30(3)47)21-18-41(53-9)44(62-46)45(59-34(7)51)43(58-33(6)50)29(2)26-54-27-35-13-15-36(52-8)16-14-35/h13-17,20,28-29,37-45H,10-12,18-19,21-27H2,1-9H3/t28-,29-,37+,38-,39+,40+,41+,42+,43-,44+,45-,46+/m0/s1
InChIKey LPRMRZQTOLNBNV-QJWWYRQBSA-N
Literature Reference Author I.PATERSON,E.A.ANDERSON,S.M.DALBY,O.LOISELEUR
Literature Reference Citation ORG.LETTERS,7,4125(2005)
Literature Reference DOI 10.1021/ol051405x
Molecular Weight 877.036 g/mol
Sample ID 41569
Solvent C6D6