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21H,23H-Porphine-2,18-dipropanoic acid, (oxydiethylidene)bis[[1-(hydroxyimino)ethyl]-3,17,?,?-tetramethyl-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

21H,23H-Porphine-2,18-dipropanoic acid, (oxydiethylidene)bis[[1-(hydroxyimino)ethyl]-3,17,?,?-tetramethyl-, dimethyl ester
SpectraBase Compound ID EE3eSQz3Pvt
InChI InChI=1S/C72H80N10O11/c1-33-45(17-21-65(83)89-13)57-31-59-47(19-23-67(85)91-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81-87)37(5)53(77-61)25-49(33)73-57)43(11)93-44(12)72-40(8)56-30-62-70(42(10)82-88)38(6)54(78-62)26-50-34(2)46(18-22-66(84)90-14)58(74-50)32-60-48(20-24-68(86)92-16)36(4)52(76-60)28-64(72)80-56/h25-32,43-44,73-74,79-80,87-88H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28-,81-41+,82-42+
InChIKey AOIBDFCOUQPCKA-MUGCYHQKSA-N
Mol Weight 1261.5 g/mol
Molecular Formula C72H80N10O11
Exact Mass 1260.600803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ib8ibJooGb3
Name 21H,23H-Porphine-2,18-dipropanoic acid, (oxydiethylidene)bis[[1-(hydroxyimino)ethyl]-3,17,?,?-tetramethyl-, dimethyl ester
Alternate Name(s) 2,4-bis(2,4,5,8-tetramethyl-3-(1-hydroxyiminoethyl)-6,7-di(2-methoxycarbonyl)-porphinyl)-3-oxapentane methyl 3-{14-[(1E)-1-(hydroxyimino)ethyl]-9-[1-(1-{9-[(1E)-1-(hydroxyimino)ethyl]-15,19-bis(3-methoxy-3-oxopropyl)-5,10,14,20-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)-5,10,15,19-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
CAS Registry Number 131755-96-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C72H80N10O11
InChI InChI=1S/C72H80N10O11/c1-33-45(17-21-65(83)89-13)57-31-59-47(19-23-67(85)91-15)35(3)51(75-59)27-63-71(39(7)55(79-63)29-61-69(41(9)81-87)37(5)53(77-61)25-49(33)73-57)43(11)93-44(12)72-40(8)56-30-62-70(42(10)82-88)38(6)54(78-62)26-50-34(2)46(18-22-66(84)90-14)58(74-50)32-60-48(20-24-68(86)92-16)36(4)52(76-60)28-64(72)80-56/h25-32,43-44,73-74,79-80,87-88H,17-24H2,1-16H3/b49-25-,50-26-,51-27-,52-28-,53-25-,54-26-,55-29-,56-30-,57-31-,58-32-,59-31-,60-32-,61-29-,62-30-,63-27-,64-28-,81-41+,82-42+
InChIKey AOIBDFCOUQPCKA-MUGCYHQKSA-N
Molecular Weight 1261.491 g/mol
SMILES [nH]1c2cc3nc(cc4c(c(C(OC(c5c(c6cc7c(\C(=N\O)C)c(c(cc8c(c(c(cc9nc(cc5[nH]6)c(c9CCC(=O)OC)C)[nH]8)CCC(=O)OC)C)n7)C)C)C)C)c(cc5nc(cc1c(c2C)CCC(=O)OC)c(c5C)CCC(=O)OC)[nH]4)C)c(c3C)\C(=N\O)C
SPLASH splash10-03di-0090003000-7d2a74f4c577fa0c9bf6
Source of Spectrum B-43-1903-15
Wiley ID 1418768