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1,3,5-TRIS-[(2R,3S,4R,5S)-N-BENZYLOXYCARBONYL-2-CARBONYLAMINO-METHYL-3,4-O-ISOPROPYLIDENE-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE
SpectraBase Compound ID IEVtkDQ9wFe
InChI InChI=1S/C60H72N6O15/c1-34-46-49(79-58(4,5)76-46)43(64(34)55(70)73-31-37-19-13-10-14-20-37)52(67)61-28-40-25-41(29-62-53(68)44-50-47(77-59(6,7)80-50)35(2)65(44)56(71)74-32-38-21-15-11-16-22-38)27-42(26-40)30-63-54(69)45-51-48(78-60(8,9)81-51)36(3)66(45)57(72)75-33-39-23-17-12-18-24-39/h10-27,34-36,43-51H,28-33H2,1-9H3,(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36+,43+,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1
InChIKey NMZIZUTURWVTDY-IFTODVNBSA-N
Mol Weight 1117.3 g/mol
Molecular Formula C60H72N6O15
Exact Mass 1116.505566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eHS9Moivnf
Name 1,3,5-TRIS-[(2R,3S,4R,5S)-N-BENZYLOXYCARBONYL-2-CARBONYLAMINO-METHYL-3,4-O-ISOPROPYLIDENE-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H72N6O15
InChI InChI=1S/C60H72N6O15/c1-34-46-49(79-58(4,5)76-46)43(64(34)55(70)73-31-37-19-13-10-14-20-37)52(67)61-28-40-25-41(29-62-53(68)44-50-47(77-59(6,7)80-50)35(2)65(44)56(71)74-32-38-21-15-11-16-22-38)27-42(26-40)30-63-54(69)45-51-48(78-60(8,9)81-51)36(3)66(45)57(72)75-33-39-23-17-12-18-24-39/h10-27,34-36,43-51H,28-33H2,1-9H3,(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36+,43+,44+,45-,46+,47+,48-,49-,50-,51+/m1/s1
InChIKey NMZIZUTURWVTDY-IFTODVNBSA-N
Literature Reference Author E.MORENO-CLAVIJO,A.T.CARMONA,A.J.MORENO-VARGAS,L.MOLINA,D.W. WRIGHT,G.J.DAVIES
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7328(2013)
Literature Reference DOI 10.1002/ejoc.201300878
Molecular Weight 1117.263 g/mol
Solvent DMSO-D6
Source File Reference UWBT20555