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(1R,2R,3S,4S,5S)-3-ACETAMIDO-2,4-DIACETOXY-5-[(BENZYLOXY)-METHYL]-CYCLOPENTYL-2-ACETAMIDO-4-O-(2-ACETAMIDO)-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-ALLOPYR
SpectraBase Compound ID Cn3Cs32Kz8D
InChI InChI=1S/C63H73N3O17/c1-38(67)64-51-54(77-41(4)70)48(35-72-31-43-21-11-6-12-22-43)55(60(51)78-42(5)71)81-62-52(65-39(2)68)58(74-33-45-25-15-8-16-26-45)56(49(79-62)36-73-32-44-23-13-7-14-24-44)83-63-53(66-40(3)69)59(75-34-46-27-17-9-18-28-46)57-50(80-63)37-76-61(82-57)47-29-19-10-20-30-47/h6-30,48-63H,31-37H2,1-5H3,(H,64,67)(H,65,68)(H,66,69)/t48-,49+,50-,51-,52+,53-,54-,55+,56+,57-,58-,59+,60+,61-,62-,63+/m0/s1
InChIKey KILHAURGTCINGP-IXZWOREISA-N
Mol Weight 1144.3 g/mol
Molecular Formula C63H73N3O17
Exact Mass 1143.493998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G31qxqwfrtM
Name (1R,2R,3S,4S,5S)-3-ACETAMIDO-2,4-DIACETOXY-5-[(BENZYLOXY)-METHYL]-CYCLOPENTYL-2-ACETAMIDO-4-O-(2-ACETAMIDO)-3-O-BENZYL-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-ALLOPYR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H73N3O17
InChI InChI=1S/C63H73N3O17/c1-38(67)64-51-54(77-41(4)70)48(35-72-31-43-21-11-6-12-22-43)55(60(51)78-42(5)71)81-62-52(65-39(2)68)58(74-33-45-25-15-8-16-26-45)56(49(79-62)36-73-32-44-23-13-7-14-24-44)83-63-53(66-40(3)69)59(75-34-46-27-17-9-18-28-46)57-50(80-63)37-76-61(82-57)47-29-19-10-20-30-47/h6-30,48-63H,31-37H2,1-5H3,(H,64,67)(H,65,68)(H,66,69)/t48-,49+,50-,51-,52+,53-,54-,55+,56+,57-,58-,59+,60+,61-,62-,63+/m0/s1
InChIKey KILHAURGTCINGP-IXZWOREISA-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 1144.283 g/mol
Solvent CDCl3
Source File Reference UWCS8681