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1-[2-Hydroxymethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(Hydroxymethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .alpha.-isomer

View entire compound with spectra: 1 MS (GC)

1-[2-Hydroxymethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(Hydroxymethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .alpha.-isomer
SpectraBase Compound ID HB802GqRg08
InChI InChI=1S/C70H78N8O11/c1-33-43(15-19-65(81)85-11)57-29-59-45(17-21-67(83)87-13)35(3)51(73-59)25-61-47(31-79)37(5)53(75-61)27-63-69(39(7)55(77-63)23-49(33)71-57)41(9)89-42(10)70-40(8)56-24-50-34(2)44(16-20-66(82)86-12)58(72-50)30-60-46(18-22-68(84)88-14)36(4)52(74-60)26-62-48(32-80)38(6)54(76-62)28-64(70)78-56/h23-30,41-42,73-74,77-80H,15-22,31-32H2,1-14H3/b49-23-,50-24-,51-25-,52-26-,53-27-,54-28-,55-23-,56-24-,57-29-,58-30-,59-29-,60-30-,61-25-,62-26-,63-27-,64-28-/t41-,42-/m0/s1
InChIKey WCMLDVHGBWNXOM-GTGWQBAQSA-N
Mol Weight 1207.4 g/mol
Molecular Formula C70H78N8O11
Exact Mass 1206.579005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PzDnbwTqSY
Name 1-[2-Hydroxymethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphyrin-4-yl]-1-ethyl 1-[4-(Hydroxymethyl)-1,3,5,8-tetramethyl-6,7-bis(2-methoxycarbonylethyl)porphrin-2-yl)-1-ethyl ether .alpha.-isomer
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C70H78N8O11
InChI InChI=1S/C70H78N8O11/c1-33-43(15-19-65(81)85-11)57-29-59-45(17-21-67(83)87-13)35(3)51(73-59)25-61-47(31-79)37(5)53(75-61)27-63-69(39(7)55(77-63)23-49(33)71-57)41(9)89-42(10)70-40(8)56-24-50-34(2)44(16-20-66(82)86-12)58(72-50)30-60-46(18-22-68(84)88-14)36(4)52(74-60)26-62-48(32-80)38(6)54(76-62)28-64(70)78-56/h23-30,41-42,73-74,77-80H,15-22,31-32H2,1-14H3/b49-23-,50-24-,51-25-,52-26-,53-27-,54-28-,55-23-,56-24-,57-29-,58-30-,59-29-,60-30-,61-25-,62-26-,63-27-,64-28-/t41-,42-/m0/s1
InChIKey WCMLDVHGBWNXOM-GTGWQBAQSA-N
Molecular Weight 1207.439 g/mol
SMILES [nH]1c2c([C@@](O[C@](c3c4cc5nc(cc6c(c(c(cc7nc(cc(c3C)[nH]4)c(c7CCC(=O)OC)C)[nH]6)CCC(=O)OC)C)c(c5C)CO)(C)[H])(C)[H])c(c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CO)C)[nH]3)C)CCC(=O)OC)c(c1C)CCC(=O)OC)C
SPLASH splash10-0a4j-0090070000-54ef76cfb7c5b80234e8
Source of Spectrum B-44-424-33
Synonyms methyl 3-[15-(hydroxymethyl)-10-[(1S)-1-[(1S)-1-[19-(hydroxymethyl)-10,14-bis(3-methoxy-3-oxopropyl)-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethoxy]ethyl]-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate
Wiley ID 1418725