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JEPUIWFSJKHAOA-GPKYTBAMSA-N
SpectraBase Compound ID BDzgcWwjTWV
InChI InChI=1S/C74H108N6O30/c1-89-17-23-95-29-35-101-59-41-52(10-12-54-44-64(106-40-34-100-28-22-94-6)56(46-62(54)104-38-32-98-26-20-92-4)58-48-80(78-76-58)14-8-16-108-74-72(88)70(86)68(84)66(50-82)110-74)60(102-36-30-96-24-18-90-2)42-51(59)9-11-53-43-63(105-39-33-99-27-21-93-5)55(45-61(53)103-37-31-97-25-19-91-3)57-47-79(77-75-57)13-7-15-107-73-71(87)69(85)67(83)65(49-81)109-73/h41-48,65-74,81-88H,7-8,13-40,49-50H2,1-6H3/t65-,66-,67-,68-,69+,70+,71-,72-,73-,74-/m0/s1
InChIKey JEPUIWFSJKHAOA-GPKYTBAMSA-N
Mol Weight 1561.7 g/mol
Molecular Formula C74H108N6O30
Exact Mass 1560.710986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JcN8pbZavn
Name JEPUIWFSJKHAOA-GPKYTBAMSA-N
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H108N6O30
InChI InChI=1S/C74H108N6O30/c1-89-17-23-95-29-35-101-59-41-52(10-12-54-44-64(106-40-34-100-28-22-94-6)56(46-62(54)104-38-32-98-26-20-92-4)58-48-80(78-76-58)14-8-16-108-74-72(88)70(86)68(84)66(50-82)110-74)60(102-36-30-96-24-18-90-2)42-51(59)9-11-53-43-63(105-39-33-99-27-21-93-5)55(45-61(53)103-37-31-97-25-19-91-3)57-47-79(77-75-57)13-7-15-107-73-71(87)69(85)67(83)65(49-81)109-73/h41-48,65-74,81-88H,7-8,13-40,49-50H2,1-6H3/t65-,66-,67-,68-,69+,70+,71-,72-,73-,74-/m0/s1
InChIKey JEPUIWFSJKHAOA-GPKYTBAMSA-N
Literature Reference Author F.PERTICI,N.VARGA,A.V.DUIJN,M.REY-CARRIZO,A.BERNARDI,R.J.PIE TERS
Literature Reference Citation BEIL.J.ORG.CHEM.,9,215(2013)
Literature Reference DOI 10.3762/bjoc.9.25
Molecular Weight 1561.694 g/mol
Solvent CD3OD
Source File Reference UWLU77306