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CYLINDROCYCLOPHANE_A_3

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CYLINDROCYCLOPHANE_A_3
SpectraBase Compound ID EmtcJLlMTi7
InChI InChI=1S/C36H53Cl3O6/c1-22-10-3-5-12-24(14-7-8-17-37)33-28(40)18-26(19-29(33)41)35(44)23(2)11-4-6-13-25(15-9-16-32(38)39)34-30(42)20-27(36(22)45)21-31(34)43/h18-25,32,35-36,40-45H,3-17H2,1-2H3/t22-,23-,24+,25+,35+,36+/m0/s1
InChIKey LHICTIBASFRESH-IULTZZOBSA-N
Mol Weight 688.2 g/mol
Molecular Formula C36H53Cl3O6
Exact Mass 686.290773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwkLGdwsHJJ
Name CYLINDROCYCLOPHANE_A_3
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53Cl3O6
InChI InChI=1S/C36H53Cl3O6/c1-22-10-3-5-12-24(14-7-8-17-37)33-28(40)18-26(19-29(33)41)35(44)23(2)11-4-6-13-25(15-9-16-32(38)39)34-30(42)20-27(36(22)45)21-31(34)43/h18-25,32,35-36,40-45H,3-17H2,1-2H3/t22-,23-,24+,25+,35+,36+/m0/s1
InChIKey LHICTIBASFRESH-IULTZZOBSA-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 688.172 g/mol
Sample ID 36332
Solvent CD3OD