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CYLINDROCYCLOPHANE_A_2

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CYLINDROCYCLOPHANE_A_2
SpectraBase Compound ID 4nnJMjxKKuX
InChI InChI=1S/C36H54Cl2O6/c1-4-5-13-24-14-8-6-11-22(2)36(44)27-20-30(41)34(31(42)21-27)25(16-10-17-32(37)38)15-9-7-12-23(3)35(43)26-18-28(39)33(24)29(40)19-26/h18-25,32,35-36,39-44H,4-17H2,1-3H3/t22-,23-,24-,25+,35+,36+/m0/s1
InChIKey LERNCFONJSWYRR-CCNIBDGSSA-N
Mol Weight 653.7 g/mol
Molecular Formula C36H54Cl2O6
Exact Mass 652.329745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2028XYtPDlF
Name CYLINDROCYCLOPHANE_A_2
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54Cl2O6
InChI InChI=1S/C36H54Cl2O6/c1-4-5-13-24-14-8-6-11-22(2)36(44)27-20-30(41)34(31(42)21-27)25(16-10-17-32(37)38)15-9-7-12-23(3)35(43)26-18-28(39)33(24)29(40)19-26/h18-25,32,35-36,39-44H,4-17H2,1-3H3/t22-,23-,24-,25+,35+,36+/m0/s1
InChIKey LERNCFONJSWYRR-CCNIBDGSSA-N
Literature Reference Author G.E.CHLIPALA,M.STURDY,A.KRUNIC,D.D.LANTVIT,Q.SHEN,K.PORTER,S .M.SWANSON,J.ORJALA
Literature Reference Citation J.NAT.PROD.,73,1529(2010)
Literature Reference DOI 10.1021/np100352e
Molecular Weight 653.727 g/mol
Sample ID 36333
Solvent CD3OD