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#34;(1S*,7R*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADECANE-8-YL]-METHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL)-BENZOATE

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#34;(1S*,7R*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADECANE-8-YL]-METHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL)-BENZOATE
SpectraBase Compound ID 5ygT8ZSzGN5
InChI InChI=1S/2C35H44N2O5/c2*1-26-22-30(38)37(31(26)39)29-16-7-6-15-28(29)32(40)42-25-34-19-11-18-33(17-8-3-9-20-35(33,34)41)23-36(24-34)21-10-14-27-12-4-2-5-13-27/h2*2,4-7,12-13,15-16,26,41H,3,8-11,14,17-25H2,1H3/t2*26?,33-,34+,35+/m11/s1
InChIKey RRWGKVBLPFWQED-KBSACTFDSA-N
Mol Weight 1145.5 g/mol
Molecular Formula C70H88N4O10
Exact Mass 1144.650045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBoj6MnryqT
Name #34;(1S*,7R*,8S*)-[7-HYDROXY-10-(3-PHENYLPROPYL)-10-AZATRICYCLO-[6.3.3.0(1,7)]-TETRADECANE-8-YL]-METHYL-2-(3-METHYL-2,5-DIOXOPYRROLIDIN-1-YL)-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H88N4O10
InChI InChI=1S/2C35H44N2O5/c2*1-26-22-30(38)37(31(26)39)29-16-7-6-15-28(29)32(40)42-25-34-19-11-18-33(17-8-3-9-20-35(33,34)41)23-36(24-34)21-10-14-27-12-4-2-5-13-27/h2*2,4-7,12-13,15-16,26,41H,3,8-11,14,17-25H2,1H3/t2*26?,33-,34+,35+/m11/s1
InChIKey RRWGKVBLPFWQED-KBSACTFDSA-N
Literature Reference Author A.LEHMANN,C.BROCKE,D.BARKER,M.A.BRIMBLE
Literature Reference Citation EUR.J.ORG.CHEM.,3205(2006)
Molecular Weight 1145.490 g/mol
Sample ID 31822
Solvent CDCl3