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CYLINDROCYCLOPHANE_C_2

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CYLINDROCYCLOPHANE_C_2
SpectraBase Compound ID CC3jF8rmwL3
InChI InChI=1S/C36H54Cl2O5/c1-4-5-13-26-14-8-6-11-23(2)18-25-19-29(39)34(30(40)20-25)27(16-10-17-33(37)38)15-9-7-12-24(3)36(43)28-21-31(41)35(26)32(42)22-28/h19-24,26-27,33,36,39-43H,4-18H2,1-3H3/t23-,24-,26-,27+,36+/m0/s1
InChIKey NEHSJAVXGQMVJK-JSTSWHIPSA-N
Mol Weight 637.7 g/mol
Molecular Formula C36H54Cl2O5
Exact Mass 636.33483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kxr4n3D7Ln8
Name CYLINDROCYCLOPHANE_C_2
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54Cl2O5
InChI InChI=1S/C36H54Cl2O5/c1-4-5-13-26-14-8-6-11-23(2)18-25-19-29(39)34(30(40)20-25)27(16-10-17-33(37)38)15-9-7-12-24(3)36(43)28-21-31(41)35(26)32(42)22-28/h19-24,26-27,33,36,39-43H,4-18H2,1-3H3/t23-,24-,26-,27+,36+/m0/s1
InChIKey NEHSJAVXGQMVJK-JSTSWHIPSA-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 637.728 g/mol
Sample ID 36337
Solvent CD3OD