John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FAcJqTaVHsV SpectraBase Spectrum ID=1KhyEcl2HDE

(accessed ).
5-(2-AMINOPHENYL)-10,15,20-TRIS-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-PORPHYRIN
SpectraBase Compound ID FAcJqTaVHsV
InChI InChI=1S/C86H85N5O30/c1-40(92)104-37-68-75(107-43(4)95)78(110-46(7)98)81(113-49(10)101)84(119-68)116-55-23-17-52(18-24-55)71-60-29-31-62(88-60)72(53-19-25-56(26-20-53)117-85-82(114-50(11)102)79(111-47(8)99)76(108-44(5)96)69(120-85)38-105-41(2)93)64-33-35-66(90-64)74(58-15-13-14-16-59(58)87)67-36-34-65(91-67)73(63-32-30-61(71)89-63)54-21-27-57(28-22-54)118-86-83(115-51(12)103)80(112-48(9)100)77(109-45(6)97)70(121-86)39-106-42(3)94/h13-36,68-70,75-86,88,91H,37-39,87H2,1-12H3/b71-60-,71-61-,72-62-,72-64-,73-63-,73-65-,74-66-,74-67-/t68-,69+,70-,75-,76+,77-,78+,79-,80+,81-,82+,83-,84-,85+,86-/m0/s1
InChIKey OYBZMZGUHGNRRL-CRPXDMGRSA-N
Mol Weight 1668.6 g/mol
Molecular Formula C86H85N5O30
Exact Mass 1667.527937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KhyEcl2HDE
Name 5-(2-AMINOPHENYL)-10,15,20-TRIS-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-PORPHYRIN
Compound Number 12A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C86H85N5O30
InChI InChI=1S/C86H85N5O30/c1-40(92)104-37-68-75(107-43(4)95)78(110-46(7)98)81(113-49(10)101)84(119-68)116-55-23-17-52(18-24-55)71-60-29-31-62(88-60)72(53-19-25-56(26-20-53)117-85-82(114-50(11)102)79(111-47(8)99)76(108-44(5)96)69(120-85)38-105-41(2)93)64-33-35-66(90-64)74(58-15-13-14-16-59(58)87)67-36-34-65(91-67)73(63-32-30-61(71)89-63)54-21-27-57(28-22-54)118-86-83(115-51(12)103)80(112-48(9)100)77(109-45(6)97)70(121-86)39-106-42(3)94/h13-36,68-70,75-86,88,91H,37-39,87H2,1-12H3/b71-60-,71-61-,72-62-,72-64-,73-63-,73-65-,74-66-,74-67-/t68-,69+,70-,75-,76+,77-,78+,79-,80+,81-,82+,83-,84-,85+,86-/m0/s1
InChIKey OYBZMZGUHGNRRL-CRPXDMGRSA-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 1668.636 g/mol
Sample ID 57923
Solvent CDCl3
SpectraBase Batch ID 5POVUxkczPu