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(2-BETA,4A-BETA)-1-[2-(8-AMINO-2,3,4,4A-TETRA-HYDRO-6-NONYL-PYRIMIDO-[3,4-B]-[1,2]-OXAZINIL)]-2-UNDECANONE
SpectraBase Compound ID JHMaFKgJtQB
InChI InChI=1S/C27H49N3O2/c1-3-5-7-9-11-13-15-17-23-21-24-19-20-26(32-30(24)27(28)29-23)22-25(31)18-16-14-12-10-8-6-4-2/h21,24,26H,3-20,22H2,1-2H3,(H2,28,29)/t24-,26-/m0/s1
InChIKey WCLCARYTRJUYFJ-AHWVRZQESA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H49N3O2
Exact Mass 447.382478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDJXfEkkOkN
Name (2-BETA,4A-BETA)-1-[2-(8-AMINO-2,3,4,4A-TETRA-HYDRO-6-NONYL-PYRIMIDO-[3,4-B]-[1,2]-OXAZINIL)]-2-UNDECANONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H49N3O2
InChI InChI=1S/C27H49N3O2/c1-3-5-7-9-11-13-15-17-23-21-24-19-20-26(32-30(24)27(28)29-23)22-25(31)18-16-14-12-10-8-6-4-2/h21,24,26H,3-20,22H2,1-2H3,(H2,28,29)/t24-,26-/m0/s1
InChIKey WCLCARYTRJUYFJ-AHWVRZQESA-N
Literature Reference Author B.B.SNIDER,M.V.BUSUYEK
Literature Reference Citation J.NAT.PROD.,62,1707(1999)
Literature Reference DOI 10.1021/np990312j
Molecular Weight 447.705 g/mol
Solvent CDCl3
Source File Reference UWRU431