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CYLINDROCYCLOPHANE_C_1

View entire compound with spectra: 1 NMR

CYLINDROCYCLOPHANE_C_1
SpectraBase Compound ID 3Wra5lvTzI3
InChI InChI=1S/C36H55ClO5/c1-4-5-14-27-15-8-6-12-24(2)19-26-20-30(38)34(31(39)21-26)28(17-10-11-18-37)16-9-7-13-25(3)36(42)29-22-32(40)35(27)33(41)23-29/h20-25,27-28,36,38-42H,4-19H2,1-3H3/t24-,25-,27-,28+,36+/m0/s1
InChIKey ADIDLTWFZOYUMC-OECKDMSPSA-N
Mol Weight 603.3 g/mol
Molecular Formula C36H55ClO5
Exact Mass 602.373803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChEbXXIwz3s
Name CYLINDROCYCLOPHANE_C_1
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H55ClO5
InChI InChI=1S/C36H55ClO5/c1-4-5-14-27-15-8-6-12-24(2)19-26-20-30(38)34(31(39)21-26)28(17-10-11-18-37)16-9-7-13-25(3)36(42)29-22-32(40)35(27)33(41)23-29/h20-25,27-28,36,38-42H,4-19H2,1-3H3/t24-,25-,27-,28+,36+/m0/s1
InChIKey ADIDLTWFZOYUMC-OECKDMSPSA-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 603.283 g/mol
Sample ID 36338
Solvent CD3OD