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MEEFARNINE-A;(S)-4-(4-HYDROXYPHENYL)-9-[(2Z)-1-OXO-3-(4-HYDROXYPHENYL)-2-PROPEN-1-YL]-1,5,9-TRIAZACYCLOTRIDECAN-2-ONE
SpectraBase Compound ID ErHOu4xI6no
InChI InChI=1S/2C25H31N3O4/c2*29-21-9-4-19(5-10-21)6-13-25(32)28-16-2-1-14-27-24(31)18-23(26-15-3-17-28)20-7-11-22(30)12-8-20/h2*4-13,23,26,29-30H,1-3,14-18H2,(H,27,31)/b2*13-6-/t2*23-/m00/s1
InChIKey VWSOWOCSKZVQLS-JPQMJHOGSA-N
Mol Weight 875.08 g/mol
Molecular Formula C50H62N6O8
Exact Mass 874.462913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7z02ADWCvT
Name MEEFARNINE-A;(S)-4-(4-HYDROXYPHENYL)-9-[(2Z)-1-OXO-3-(4-HYDROXYPHENYL)-2-PROPEN-1-YL]-1,5,9-TRIAZACYCLOTRIDECAN-2-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H62N6O8
InChI InChI=1S/2C25H31N3O4/c2*29-21-9-4-19(5-10-21)6-13-25(32)28-16-2-1-14-27-24(31)18-23(26-15-3-17-28)20-7-11-22(30)12-8-20/h2*4-13,23,26,29-30H,1-3,14-18H2,(H,27,31)/b2*13-6-/t2*23-/m00/s1
InChIKey VWSOWOCSKZVQLS-JPQMJHOGSA-N
Literature Reference Author T.MURATA,T.MIYASE,F.YOSHIZAKI
Literature Reference Citation CHEM.PHARM.BULL.,58,696(2010)
Literature Reference DOI 10.1248/cpb.58.696
Molecular Weight 875.078 g/mol
Sample ID 3492
Solvent CD3OD