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CANCENTRINE

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CANCENTRINE
SpectraBase Compound ID KxDVmy3jFvJ
InChI InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20?,21-,34?,35+,36?/m0/s1
InChIKey XWPPHGONALRWBY-FDACXETNSA-N
Mol Weight 606.7 g/mol
Molecular Formula C36H34N2O7
Exact Mass 606.236601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dJIf6AJD5c
Name CANCENTRINE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H34N2O7
InChI InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20?,21-,34?,35+,36?/m0/s1
InChIKey XWPPHGONALRWBY-FDACXETNSA-N
Literature Reference Author H.L.HOLLAND,D.W.HUGHES,D.B.MACLEAN,R.G.A.RODRIGO
Literature Reference Citation CAN.J.CHEM.,56,2467(1978)
Literature Reference DOI 10.1139/v78-403
Molecular Weight 606.675 g/mol
Solvent CDCl3
Source File Reference UWED1723