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5-[4-(N-(9-FLUORENYLMETHOXYCABONYL)-3-O-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-L-SERYLAMINO)-PHENYL]-10,15,20-TRISTOLYLPORPHYRIN
SpectraBase Compound ID 54jplKBslFa
InChI InChI=1S/C79H70N6O13/c1-43-16-22-50(23-17-43)70-60-32-34-62(81-60)71(51-24-18-44(2)19-25-51)64-36-38-66(83-64)73(67-39-37-65(84-67)72(63-35-33-61(70)82-63)52-26-20-45(3)21-27-52)53-28-30-54(31-29-53)80-77(90)68(85-79(91)94-40-59-57-14-10-8-12-55(57)56-13-9-11-15-58(56)59)41-93-78-76(97-49(7)89)75(96-48(6)88)74(95-47(5)87)69(98-78)42-92-46(4)86/h8-39,59,68-69,74-76,78,81,84H,40-42H2,1-7H3,(H,80,90)(H,85,91)/b70-60-,70-61-,71-62-,71-64-,72-63-,72-65-,73-66-,73-67-/t68?,69-,74-,75+,76-,78-/m1/s1
InChIKey OAFSITYHLJVXNG-ADFFOBRCSA-N
Mol Weight 1311.5 g/mol
Molecular Formula C79H70N6O13
Exact Mass 1310.500086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81ciDn2nMkP
Name 5-[4-(N-(9-FLUORENYLMETHOXYCABONYL)-3-O-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-L-SERYLAMINO)-PHENYL]-10,15,20-TRISTOLYLPORPHYRIN
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C79H70N6O13
InChI InChI=1S/C79H70N6O13/c1-43-16-22-50(23-17-43)70-60-32-34-62(81-60)71(51-24-18-44(2)19-25-51)64-36-38-66(83-64)73(67-39-37-65(84-67)72(63-35-33-61(70)82-63)52-26-20-45(3)21-27-52)53-28-30-54(31-29-53)80-77(90)68(85-79(91)94-40-59-57-14-10-8-12-55(57)56-13-9-11-15-58(56)59)41-93-78-76(97-49(7)89)75(96-48(6)88)74(95-47(5)87)69(98-78)42-92-46(4)86/h8-39,59,68-69,74-76,78,81,84H,40-42H2,1-7H3,(H,80,90)(H,85,91)/b70-60-,70-61-,71-62-,71-64-,72-63-,72-65-,73-66-,73-67-/t68?,69-,74-,75+,76-,78-/m1/s1
InChIKey OAFSITYHLJVXNG-ADFFOBRCSA-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 1311.457 g/mol
Sample ID 57928
Solvent CDCl3