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CANNABISIN_B_HEXAMETHYLETHER

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CANNABISIN_B_HEXAMETHYLETHER
SpectraBase Compound ID L9t892hSyqd
InChI InChI=1S/C40H44N2O8/c1-45-29-12-7-25(8-13-29)17-19-41-39(43)32-21-28-23-35(49-5)36(50-6)24-31(28)37(27-11-16-33(47-3)34(22-27)48-4)38(32)40(44)42-20-18-26-9-14-30(46-2)15-10-26/h7-16,21-24,37-38H,17-20H2,1-6H3,(H,41,43)(H,42,44)/t37-,38-/m1/s1
InChIKey NFXQEWASHNMOJZ-XPSQVAKYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C40H44N2O8
Exact Mass 680.309766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4Q1XleSlws
Name CANNABISIN_B_HEXAMETHYLETHER
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N2O8
InChI InChI=1S/C40H44N2O8/c1-45-29-12-7-25(8-13-29)17-19-41-39(43)32-21-28-23-35(49-5)36(50-6)24-31(28)37(27-11-16-33(47-3)34(22-27)48-4)38(32)40(44)42-20-18-26-9-14-30(46-2)15-10-26/h7-16,21-24,37-38H,17-20H2,1-6H3,(H,41,43)(H,42,44)/t37-,38-/m1/s1
InChIKey NFXQEWASHNMOJZ-XPSQVAKYSA-N
Literature Reference Author I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,31,3219(1992)
Literature Reference DOI 10.1016/0031-9422(92)83479-I
Molecular Weight 680.798 g/mol
Solvent CDCl3
Source File Reference UWMZ21555