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CYLINDROCYCLOPHANE_C_3

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CYLINDROCYCLOPHANE_C_3
SpectraBase Compound ID 5SBUeHMSimS
InChI InChI=1S/C36H53Cl3O5/c1-23-10-3-5-12-26(14-7-8-17-37)35-31(42)21-28(22-32(35)43)36(44)24(2)11-4-6-13-27(15-9-16-33(38)39)34-29(40)19-25(18-23)20-30(34)41/h19-24,26-27,33,36,40-44H,3-18H2,1-2H3/t23-,24-,26+,27+,36+/m0/s1
InChIKey GTLHTVNKXAOYFH-NEYNPXGUSA-N
Mol Weight 672.2 g/mol
Molecular Formula C36H53Cl3O5
Exact Mass 670.295858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IY7kwR5ocXB
Name CYLINDROCYCLOPHANE_C_3
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53Cl3O5
InChI InChI=1S/C36H53Cl3O5/c1-23-10-3-5-12-26(14-7-8-17-37)35-31(42)21-28(22-32(35)43)36(44)24(2)11-4-6-13-27(15-9-16-33(38)39)34-29(40)19-25(18-23)20-30(34)41/h19-24,26-27,33,36,40-44H,3-18H2,1-2H3/t23-,24-,26+,27+,36+/m0/s1
InChIKey GTLHTVNKXAOYFH-NEYNPXGUSA-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 672.173 g/mol
Sample ID 36336
Solvent CD3OD