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(2R,6R,7S,9R)-2-PHENYL-7,9-DIPENTADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
SpectraBase Compound ID 5oiDeo1BkOz
InChI InChI=1S/C42H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-39-41-42(44)45-36-38(37-32-28-27-29-33-37)43(41)40(46-39)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,38-41H,3-26,30-31,34-36H2,1-2H3/t38-,39-,40+,41+/m0/s1
InChIKey JDTZEFXRIBQVMB-LETRWZBTSA-N
Mol Weight 640.1 g/mol
Molecular Formula C42H73NO3
Exact Mass 639.559045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cRNAVaNHgr
Name (2R,6R,7S,9R)-2-PHENYL-7,9-DIPENTADECYL-1-AZA-4,8-DIOXABICYCLO-[4.3.0(1,6)]-NONAN-5-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H73NO3
InChI InChI=1S/C42H73NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-39-41-42(44)45-36-38(37-32-28-27-29-33-37)43(41)40(46-39)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,38-41H,3-26,30-31,34-36H2,1-2H3/t38-,39-,40+,41+/m0/s1
InChIKey JDTZEFXRIBQVMB-LETRWZBTSA-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 640.047 g/mol
Sample ID 46647
Solvent CDCl3