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5-[2-(1S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-3-THIO-PROPANOXY)-PHENYL]-10,15,20-TRITOLYLPORPHYRIN
SpectraBase Compound ID 3Ppx45kGeHA
InChI InChI=1S/C64H60N4O10S/c1-36-13-19-43(20-14-36)57-47-25-27-49(65-47)58(44-21-15-37(2)16-22-44)51-29-31-53(67-51)60(54-32-30-52(68-54)59(50-28-26-48(57)66-50)45-23-17-38(3)18-24-45)46-11-8-9-12-55(46)73-33-10-34-79-64-63(77-42(7)72)62(76-41(6)71)61(75-40(5)70)56(78-64)35-74-39(4)69/h8-9,11-32,56,61-65,68H,10,33-35H2,1-7H3/b57-47-,57-48-,58-49-,58-51-,59-50-,59-52-,60-53-,60-54-/t56-,61-,62+,63-,64+/m0/s1
InChIKey GDYRLEDSSDWJHK-RGMSSATPSA-N
Mol Weight 1077.3 g/mol
Molecular Formula C64H60N4O10S
Exact Mass 1076.403015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4B0WToOpzec
Name 5-[2-(1S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-3-THIO-PROPANOXY)-PHENYL]-10,15,20-TRITOLYLPORPHYRIN
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H60N4O10S
InChI InChI=1S/C64H60N4O10S/c1-36-13-19-43(20-14-36)57-47-25-27-49(65-47)58(44-21-15-37(2)16-22-44)51-29-31-53(67-51)60(54-32-30-52(68-54)59(50-28-26-48(57)66-50)45-23-17-38(3)18-24-45)46-11-8-9-12-55(46)73-33-10-34-79-64-63(77-42(7)72)62(76-41(6)71)61(75-40(5)70)56(78-64)35-74-39(4)69/h8-9,11-32,56,61-65,68H,10,33-35H2,1-7H3/b57-47-,57-48-,58-49-,58-51-,59-50-,59-52-,60-53-,60-54-/t56-,61-,62+,63-,64+/m0/s1
InChIKey GDYRLEDSSDWJHK-RGMSSATPSA-N
Literature Reference Author I.SYLVAIN,R.ZERROUKI,R.GRANET,Y.M.HUANG,J.F.LAGORCE,M.GUILLO TON,J.C.BLAIS,P.KRAU
Literature Reference Citation BIOORG.MED.CHEM.,10,57(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00255-3
Molecular Weight 1077.261 g/mol
Solvent CDCl3
Source File Reference UWLU30907