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Cylindrol A4

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Cylindrol A4
SpectraBase Compound ID D3aLhIc69zJ
InChI InChI=1S/C28H39ClO6/c1-15(2)12-24(32)35-23(13-28(7)17(4)9-11-22(31)19(28)6)16(3)8-10-20-26(33)21(14-30)18(5)25(29)27(20)34/h8,14-15,17,19,23,33-34H,9-13H2,1-7H3/b16-8+/t17-,19+,23+,28+/m0/s1
InChIKey CJUHWKPMXGYAGR-QBSMIZEPSA-N
Mol Weight 507.1 g/mol
Molecular Formula C28H39ClO6
Exact Mass 506.243517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5EUwUcEr19
Name CYLINDROL-A4
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H39ClO6
InChI InChI=1S/C28H39ClO6/c1-15(2)12-24(32)35-23(13-28(7)17(4)9-11-22(31)19(28)6)16(3)8-10-20-26(33)21(14-30)18(5)25(29)27(20)34/h8,14-15,17,19,23,33-34H,9-13H2,1-7H3/b16-8+/t17-,19+,23+,28+/m0/s1
InChIKey CJUHWKPMXGYAGR-QBSMIZEPSA-N
Literature Reference Author S.B.SINGH,R.G.BALL,G.F.BILLS,C.CASCALES,J.B.GIBBS,M.A.GOETZ, K.HOOGSTEEN,R.G.JENK
Literature Reference Citation J.ORG.CHEM.,61,7727(1996)
Literature Reference DOI 10.1021/jo961074p
Molecular Weight 507.067 g/mol
Solvent CDCl3
Source File Reference WANG1778