John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Gp6D96rFx1R SpectraBase Spectrum ID=1JWCYKdmDay

(accessed ).
AQUARIOLIDE_A
SpectraBase Compound ID Gp6D96rFx1R
InChI InChI=1S/C24H29ClO9/c1-9-15(25)19-24(31,10(2)21(29)34-19)20(33-12(4)27)17-22(5)13(16(9)32-11(3)26)7-8-14(22)18(28)23(17,6)30/h7-8,10,13-17,19-20,30-31H,1H2,2-6H3/t10-,13+,14-,15-,16+,17+,19-,20-,22-,23-,24-/m0/s1
InChIKey YVQPCUBROHIYIE-BUKMJGKJSA-N
Mol Weight 496.94 g/mol
Molecular Formula C24H29ClO9
Exact Mass 496.150011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JWCYKdmDay
Name AQUARIOLIDE_A
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29ClO9
InChI InChI=1S/C24H29ClO9/c1-9-15(25)19-24(31,10(2)21(29)34-19)20(33-12(4)27)17-22(5)13(16(9)32-11(3)26)7-8-14(22)18(28)23(17,6)30/h7-8,10,13-17,19-20,30-31H,1H2,2-6H3/t10-,13+,14-,15-,16+,17+,19-,20-,22-,23-,24-/m0/s1
InChIKey YVQPCUBROHIYIE-BUKMJGKJSA-N
Literature Reference Author O.TAGLIALATELA-SCAFATI,U.DEO-JANGRA,M.CAMPBELL,M.ROBERGE,R.J .ANDERSEN
Literature Reference Citation ORG.LETTERS,4,4085(2002)
Literature Reference DOI 10.1021/ol026831m
Molecular Weight 496.942 g/mol
Solvent CDCl3
Source File Reference UWMZ25119
SpectraBase Batch ID 5TZcMjc8ouo