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#2A-ROTAMER;[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYL-3-[4-[(2S)-2-HYDROXY-3-[3-[4-[(2S)-2-HYDROXY-3-[[2-[[(MORPHOLIN-4-YL)-CARBONYL]-AMINO]-ETHYL]-AMINO]-P
SpectraBase Compound ID 2rHnM49QuDb
InChI InChI=1S/C44H66N6O13/c1-44(2)62-32-39(63-44)31-61-41(54)14-8-34-5-11-38(12-6-34)60-30-36(52)28-50(18-17-47-43(56)49-21-25-58-26-22-49)40(53)13-7-33-3-9-37(10-4-33)59-29-35(51)27-45-15-16-46-42(55)48-19-23-57-24-20-48/h3-6,9-12,35-36,39,45,51-52H,7-8,13-32H2,1-2H3,(H,46,55)(H,47,56)/t35-,36-,39+/m0/s1
InChIKey CEWAVTICLJLHBY-VHYZKNOSSA-N
Mol Weight 887.0 g/mol
Molecular Formula C44H66N6O13
Exact Mass 886.468786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6QPdQUJnY5
Name #2A-ROTAMER;[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]-METHYL-3-[4-[(2S)-2-HYDROXY-3-[3-[4-[(2S)-2-HYDROXY-3-[[2-[[(MORPHOLIN-4-YL)-CARBONYL]-AMINO]-ETHYL]-AMINO]-P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H66N6O13
InChI InChI=1S/C44H66N6O13/c1-44(2)62-32-39(63-44)31-61-41(54)14-8-34-5-11-38(12-6-34)60-30-36(52)28-50(18-17-47-43(56)49-21-25-58-26-22-49)40(53)13-7-33-3-9-37(10-4-33)59-29-35(51)27-45-15-16-46-42(55)48-19-23-57-24-20-48/h3-6,9-12,35-36,39,45,51-52H,7-8,13-32H2,1-2H3,(H,46,55)(H,47,56)/t35-,36-,39+/m0/s1
InChIKey CEWAVTICLJLHBY-VHYZKNOSSA-N
Literature Reference Author M.STUJBER,S.BELDAR,C.RABONG,I.BEDESA,M.BREZA,T.LIPTAJ
Literature Reference Citation MAGN.RES.CHEM.,52,122(2014)
Literature Reference DOI 10.1002/mrc.4040
Molecular Weight 887.040 g/mol
Solvent CDCl3
Source File Reference UWBT15716