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(2S,3S,4R)-1,3,4-TRIACETOXY-2-[(R-2'-ACETOXYOCTADECANOYL)-AMINO]-OCTADECANE
SpectraBase Compound ID 7gmkIXgEMKX
InChI InChI=1S/C44H81NO9/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(53-38(5)48)44(50)45-40(35-51-36(3)46)43(54-39(6)49)41(52-37(4)47)33-31-29-27-25-23-20-18-16-14-12-10-8-2/h40-43H,7-35H2,1-6H3,(H,45,50)/t40-,41+,42+,43+/m1/s1
InChIKey VUURTVVNPFVWBH-NCZZEDDZSA-N
Mol Weight 768.1 g/mol
Molecular Formula C44H81NO9
Exact Mass 767.591133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKEpt86n0GX
Name (2S,3S,4R)-1,3,4-TRIACETOXY-2-[(R-2'-ACETOXYOCTADECANOYL)-AMINO]-OCTADECANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H81NO9
InChI InChI=1S/C44H81NO9/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(53-38(5)48)44(50)45-40(35-51-36(3)46)43(54-39(6)49)41(52-37(4)47)33-31-29-27-25-23-20-18-16-14-12-10-8-2/h40-43H,7-35H2,1-6H3,(H,45,50)/t40-,41+,42+,43+/m1/s1
InChIKey VUURTVVNPFVWBH-NCZZEDDZSA-N
Literature Reference Author B.S.G.REDDY,V.D.RAO,C.RAO-BHEEMASANKARA,N.DHANANJAYA,R.KUTTA N,T.D.BABU
Literature Reference Citation CHEM.PHARM.BULL.,47,1214(1999)
Literature Reference DOI 10.1248/cpb.47.1214
Molecular Weight 768.128 g/mol
Solvent CDCl3
Source File Reference UWLU8223