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5-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-10,15,20-TRIS-(4-NITROPHENYL)-PORPHYRIN
SpectraBase Compound ID 5r0HZhQWmAx
InChI InChI=1S/C58H45N7O16/c1-30(66)76-29-50-55(77-31(2)67)56(78-32(3)68)57(79-33(4)69)58(81-50)80-41-19-11-37(12-20-41)54-48-27-25-46(61-48)52(35-7-15-39(16-8-35)64(72)73)44-23-21-42(59-44)51(34-5-13-38(14-6-34)63(70)71)43-22-24-45(60-43)53(47-26-28-49(54)62-47)36-9-17-40(18-10-36)65(74)75/h5-28,50,55-59,62H,29H2,1-4H3/b51-42-,51-43-,52-44-,52-46-,53-45-,53-47-,54-48-,54-49-/t50-,55-,56+,57-,58-/m1/s1
InChIKey KAGQTZSGQCMZEC-LIHPZULLSA-N
Mol Weight 1096.0 g/mol
Molecular Formula C58H45N7O16
Exact Mass 1095.292278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eLQakuD3Co
Name 5-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-10,15,20-TRIS-(4-NITROPHENYL)-PORPHYRIN
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H45N7O16
InChI InChI=1S/C58H45N7O16/c1-30(66)76-29-50-55(77-31(2)67)56(78-32(3)68)57(79-33(4)69)58(81-50)80-41-19-11-37(12-20-41)54-48-27-25-46(61-48)52(35-7-15-39(16-8-35)64(72)73)44-23-21-42(59-44)51(34-5-13-38(14-6-34)63(70)71)43-22-24-45(60-43)53(47-26-28-49(54)62-47)36-9-17-40(18-10-36)65(74)75/h5-28,50,55-59,62H,29H2,1-4H3/b51-42-,51-43-,52-44-,52-46-,53-45-,53-47-,54-48-,54-49-/t50-,55-,56+,57-,58-/m1/s1
InChIKey KAGQTZSGQCMZEC-LIHPZULLSA-N
Literature Reference Author V.SOL,J.C.BLAIS,V.CARRE,R.GRANET,M.GUILLOTON,M.SPIRO,P.KRAUS Z
Literature Reference Citation J.ORG.CHEM.,64,4431(1999)
Literature Reference DOI 10.1021/jo982499+
Molecular Weight 1096.033 g/mol
Sample ID 57912
Solvent CDCl3