SpectraBase Compound ID | LTqNNmCmCfc |
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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)116-57-23-15-53(16-24-57)72-62-31-29-60(88-62)71(52-13-21-56(87)22-14-52)61-30-32-63(89-61)73(54-17-25-58(26-18-54)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)65-34-36-67(91-65)74(66-35-33-64(72)90-66)55-19-27-59(28-20-55)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 | FKTZEYJXEANJMJ-CRPXDMGRSA-N |
Mol Weight | 1668.6 g/mol |
Molecular Formula | C86H85N5O30 |
Exact Mass | 1667.527936 g/mol |
SpectraBase Spectrum ID | 7iffJSJP4s1 |
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Name | 5-(4-AMINOPHENYL)-10,15,20-TRIS-[4-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLOXY)-PHENYL]-PORPHYRIN |
Compound Number | 12B |
Copyright | Copyright © 2016-2024 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)116-57-23-15-53(16-24-57)72-62-31-29-60(88-62)71(52-13-21-56(87)22-14-52)61-30-32-63(89-61)73(54-17-25-58(26-18-54)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)65-34-36-67(91-65)74(66-35-33-64(72)90-66)55-19-27-59(28-20-55)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 | FKTZEYJXEANJMJ-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 | 57924 |
Solvent | CDCl3 |