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5-[4-(1S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-ALPHA-D-MANNOPYRANOSYL)-3-THIO-PROPANOXY)-PHENYL]-10,15,20-TRITOLYLPORPHYRIN
SpectraBase Compound ID 9NTLX92n3UI
InChI InChI=1S/C64H60N4O10S/c1-36-9-15-43(16-10-36)57-48-25-27-50(65-48)58(44-17-11-37(2)12-18-44)52-29-31-54(67-52)60(55-32-30-53(68-55)59(51-28-26-49(57)66-51)45-19-13-38(3)14-20-45)46-21-23-47(24-22-46)73-33-8-34-79-64-63(77-42(7)72)62(76-41(6)71)61(75-40(5)70)56(78-64)35-74-39(4)69/h9-32,56,61-65,68H,8,33-35H2,1-7H3/b57-48-,57-49-,58-50-,58-52-,59-51-,59-53-,60-54-,60-55-/t56-,61-,62+,63+,64-/m0/s1
InChIKey HWZRDPDVOVKUBJ-KECGPKOWSA-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 DATKfYfeSoy
Name 5-[4-(1S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-ALPHA-D-MANNOPYRANOSYL)-3-THIO-PROPANOXY)-PHENYL]-10,15,20-TRITOLYLPORPHYRIN
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H60N4O10S
InChI InChI=1S/C64H60N4O10S/c1-36-9-15-43(16-10-36)57-48-25-27-50(65-48)58(44-17-11-37(2)12-18-44)52-29-31-54(67-52)60(55-32-30-53(68-55)59(51-28-26-49(57)66-51)45-19-13-38(3)14-20-45)46-21-23-47(24-22-46)73-33-8-34-79-64-63(77-42(7)72)62(76-41(6)71)61(75-40(5)70)56(78-64)35-74-39(4)69/h9-32,56,61-65,68H,8,33-35H2,1-7H3/b57-48-,57-49-,58-50-,58-52-,59-51-,59-53-,60-54-,60-55-/t56-,61-,62+,63+,64-/m0/s1
InChIKey HWZRDPDVOVKUBJ-KECGPKOWSA-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 UWLU30910