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5-[2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-10,15,20-TRIS-(4-NITROPHENYL)-PORPHYRIN
SpectraBase Compound ID 3D89AeQLHaM
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)80-49-8-6-5-7-40(49)54-47-27-25-45(61-47)52(35-11-17-38(18-12-35)64(72)73)43-23-21-41(59-43)51(34-9-15-37(16-10-34)63(70)71)42-22-24-44(60-42)53(46-26-28-48(54)62-46)36-13-19-39(20-14-36)65(74)75/h5-28,50,55-59,62H,29H2,1-4H3/b51-41-,51-42-,52-43-,52-45-,53-44-,53-46-,54-47-,54-48-/t50-,55-,56+,57-,58-/m1/s1
InChIKey LRWUKFXSTLQUKB-UONVKCSPSA-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 BN6aKcSpFY7
Name 5-[2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-10,15,20-TRIS-(4-NITROPHENYL)-PORPHYRIN
Compound Number 3A
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)80-49-8-6-5-7-40(49)54-47-27-25-45(61-47)52(35-11-17-38(18-12-35)64(72)73)43-23-21-41(59-43)51(34-9-15-37(16-10-34)63(70)71)42-22-24-44(60-42)53(46-26-28-48(54)62-46)36-13-19-39(20-14-36)65(74)75/h5-28,50,55-59,62H,29H2,1-4H3/b51-41-,51-42-,52-43-,52-45-,53-44-,53-46-,54-47-,54-48-/t50-,55-,56+,57-,58-/m1/s1
InChIKey LRWUKFXSTLQUKB-UONVKCSPSA-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 57911
Solvent CDCl3