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(5-S)-5-ACETOXYCAESPITOL
SpectraBase Compound ID H24d16nkWpM
InChI InChI=1S/C17H27Br2ClO4/c1-9(21)23-11-8-16(4,20)13(19)6-10(11)17(5)14(22)7-12(18)15(2,3)24-17/h10-14,22H,6-8H2,1-5H3/t10-,11+,12-,13+,14-,16+,17-/m0/s1
InChIKey TXUIEJDHDWIUIB-AFEYPSKUSA-N
Mol Weight 490.66 g/mol
Molecular Formula C17H27Br2ClO4
Exact Mass 487.996463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jtuj8RM2KM4
Name (5-S)-5-ACETOXYCAESPITOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27Br2ClO4
InChI InChI=1S/C17H27Br2ClO4/c1-9(21)23-11-8-16(4,20)13(19)6-10(11)17(5)14(22)7-12(18)15(2,3)24-17/h10-14,22H,6-8H2,1-5H3/t10-,11+,12-,13+,14-,16+,17-/m0/s1
InChIKey TXUIEJDHDWIUIB-AFEYPSKUSA-N
Literature Reference Author C.JHULLIER,M.FALKENBERG,E.IOANNOU,A.QUESADA,P.PAPAZAFIRI,P.A .HORTA,E.P.SCHENKEL,
Literature Reference Citation J.NAT.PROD.,73,27(2010)
Literature Reference DOI 10.1021/np900627r
Molecular Weight 490.660 g/mol
Sample ID 34320
Solvent CDCl3