John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AhEYnKdPkB7 SpectraBase Spectrum ID=11mjMZMUsq1

(accessed ).
2,4-BIS-[2-(1S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-ALPHA-D-MANNOPYRANOSYL))-ETHYL]-6,7-BIS-[2-(METHOXYCARBONYL)-ETHYL]-1,3,5,8-TETRAMETHYLPORPHYRIN
SpectraBase Compound ID AhEYnKdPkB7
InChI InChI=1S/C64H78N4O22S2/c1-29-41(15-17-55(77)79-13)51-26-52-42(16-18-56(78)80-14)30(2)47(68-52)24-50-44(20-22-92-64-62(88-40(12)76)60(86-38(10)74)58(84-36(8)72)54(90-64)28-82-34(6)70)32(4)48(67-50)25-49-43(31(3)46(65-49)23-45(29)66-51)19-21-91-63-61(87-39(11)75)59(85-37(9)73)57(83-35(7)71)53(89-63)27-81-33(5)69/h23-26,53-54,57-65,68H,15-22,27-28H2,1-14H3/b45-23-,46-23-,47-24-,48-25-,49-25-,50-24-,51-26-,52-26-/t53-,54-,57-,58-,59+,60+,61+,62+,63-,64-/m0/s1
InChIKey OROGXEXUCILZRP-UOMTZRJHSA-N
Mol Weight 1319.5 g/mol
Molecular Formula C64H78N4O22S2
Exact Mass 1318.454915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11mjMZMUsq1
Name 2,4-BIS-[2-(1S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-ALPHA-D-MANNOPYRANOSYL))-ETHYL]-6,7-BIS-[2-(METHOXYCARBONYL)-ETHYL]-1,3,5,8-TETRAMETHYLPORPHYRIN
Compound Number 17
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H78N4O22S2
InChI InChI=1S/C64H78N4O22S2/c1-29-41(15-17-55(77)79-13)51-26-52-42(16-18-56(78)80-14)30(2)47(68-52)24-50-44(20-22-92-64-62(88-40(12)76)60(86-38(10)74)58(84-36(8)72)54(90-64)28-82-34(6)70)32(4)48(67-50)25-49-43(31(3)46(65-49)23-45(29)66-51)19-21-91-63-61(87-39(11)75)59(85-37(9)73)57(83-35(7)71)53(89-63)27-81-33(5)69/h23-26,53-54,57-65,68H,15-22,27-28H2,1-14H3/b45-23-,46-23-,47-24-,48-25-,49-25-,50-24-,51-26-,52-26-/t53-,54-,57-,58-,59+,60+,61+,62+,63-,64-/m0/s1
InChIKey OROGXEXUCILZRP-UOMTZRJHSA-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 1319.457 g/mol
Solvent CDCl3
Source File Reference UWLU30915
SpectraBase Batch ID DxVadJ12EOY