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(2R,6R,7S,9R)-2-PHENYL-7,9-DITETRADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
SpectraBase Compound ID JxV68NM488F
InChI InChI=1S/C40H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-37-39-40(42)43-34-36(35-30-26-25-27-31-35)41(39)38(44-37)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,36-39H,3-24,28-29,32-34H2,1-2H3/t36-,37-,38+,39+/m0/s1
InChIKey XEQHQXVXPYEZFL-IZSXRKQISA-N
Mol Weight 612.0 g/mol
Molecular Formula C40H69NO3
Exact Mass 611.527745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCTKjXpSi2M
Name (2R,6R,7S,9R)-2-PHENYL-7,9-DITETRADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H69NO3
InChI InChI=1S/C40H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-37-39-40(42)43-34-36(35-30-26-25-27-31-35)41(39)38(44-37)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31,36-39H,3-24,28-29,32-34H2,1-2H3/t36-,37-,38+,39+/m0/s1
InChIKey XEQHQXVXPYEZFL-IZSXRKQISA-N
Literature Reference Author V.A.BROME,L.M.HARWOOD,H.M.I.OSBORN
Literature Reference Citation CAN.J.CHEM.,84,1448(2006)
Literature Reference DOI 10.1139/v06-121
Molecular Weight 611.993 g/mol
Sample ID 46649
Solvent CDCl3