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10-O-DEMETHYL-ISOCEPHAELINE

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10-O-DEMETHYL-ISOCEPHAELINE
SpectraBase Compound ID 8L6nMCjhmbs
InChI InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)25(31)13-21(18)23(29)10-19(16)9-22-20-14-27(33-3)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1
InChIKey QBNRQKFLWJOWBD-CQOCVSQPSA-N
Mol Weight 452.6 g/mol
Molecular Formula C27H36N2O4
Exact Mass 452.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JT3LC2jqsv2
Name 10-O-DEMETHYL-ISOCEPHAELINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36N2O4
InChI InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)25(31)13-21(18)23(29)10-19(16)9-22-20-14-27(33-3)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1
InChIKey QBNRQKFLWJOWBD-CQOCVSQPSA-N
Literature Reference Author N.SAKURAI,K.NAKAGAWA-GOTO,J.ITO,Y.SAKURAI,Y.NAKANISHI,K.F.BA STOW,G.CRAGG,K.H.LEE
Literature Reference Citation PHYTOCHEM.,67,894(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.01.009
Molecular Weight 452.594 g/mol
Sample ID 66195
Solvent CD3OD