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(3AS,4R,5R,6S,6AS)-4-ACETOXY-6-(ACETOXYMETHYL)-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2
SpectraBase Compound ID 5uPXcW7Isdd
InChI InChI=1S/C39H56N4O21/c1-15(44)40-28-35(58-22(8)51)32(56-20(6)49)25(13-54-18(4)47)60-38(28)63-33-26(14-55-19(5)48)61-37(29(41-16(2)45)36(33)59-23(9)52)62-31-24(12-53-17(3)46)30-27(34(31)57-21(7)50)42-39(64-30)43(10)11/h24-38H,12-14H2,1-11H3,(H,40,44)(H,41,45)/t24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+/m0/s1
InChIKey WCLVQJQNZCBVDZ-YEUQXLMWSA-N
Mol Weight 916.9 g/mol
Molecular Formula C39H56N4O21
Exact Mass 916.343705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3G5Ri7Gb7JV
Name (3AS,4R,5R,6S,6AS)-4-ACETOXY-6-(ACETOXYMETHYL)-2-(DIMETHYLAMINO)-3A,5,6,6A-TETRAHYDRO-4H-CYCLOPENTOXAZOL-5-YL-2-ACETAMIDO-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H56N4O21
InChI InChI=1S/C39H56N4O21/c1-15(44)40-28-35(58-22(8)51)32(56-20(6)49)25(13-54-18(4)47)60-38(28)63-33-26(14-55-19(5)48)61-37(29(41-16(2)45)36(33)59-23(9)52)62-31-24(12-53-17(3)46)30-27(34(31)57-21(7)50)42-39(64-30)43(10)11/h24-38H,12-14H2,1-11H3,(H,40,44)(H,41,45)/t24-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+/m0/s1
InChIKey WCLVQJQNZCBVDZ-YEUQXLMWSA-N
Literature Reference Author J.L.MALOISEL,A.VASELLA,B.M.TROST,D.L.VANVRANKEN
Literature Reference Citation HELV.CHIM.ACTA,75,1515(1992)
Literature Reference DOI 10.1002/hlca.19920750506
Molecular Weight 916.888 g/mol
Solvent CDCl3
Source File Reference UWCS8688