(12E,14Z,36E,38Z)-5,23,29,47-tetraoxa-12,13,15,16,36,37,39,40-octaazaheptacyclo[25.21.0.0(3,25).0(6,11).0(17,22).0(30,35).0(41,46)]octatetraconta-1,3(25),6,8,10,12,14,17(22),18,20,26,30(35),31,33,36,38,41,43,45-nonadecaene

SpectraBase Compound ID	6MAbRkPQsXo
InChI	InChI=1S/C36H30N8O4/c1-5-13-33-29(9-1)41-37-23-38-42-30-10-2-6-14-34(30)46-20-26-18-28-22-48-36-16-8-4-12-32(36)44-40-24-39-43-31-11-3-7-15-35(31)47-21-27(28)17-25(26)19-45-33/h1-18,23-24,41,44H,19-22H2/b37-23-,40-24-,42-38+,43-39+
InChIKey	RFMTUXUAXGUELS-GEVVYJLCSA-N Google Search
Mol Weight	638.7 g/mol
Molecular Formula	C36H30N8O4
Exact Mass	638.239001 g/mol

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SpectraBase Spectrum ID	36P5XFpoIH7
Name	(12E,14Z,36E,38Z)-5,23,29,47-tetraoxa-12,13,15,16,36,37,39,40-octaazaheptacyclo[25.21.0.0(3,25).0(6,11).0(17,22).0(30,35).0(41,46)]octatetraconta-1,3(25),6,8,10,12,14,17(22),18,20,26,30(35),31,33,36,38,41,43,45-nonadecaene
Appearance	Deep red crystals
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H30N8O4
InChI	InChI=1S/C36H30N8O4/c1-5-13-33-29(9-1)41-37-23-38-42-30-10-2-6-14-34(30)46-20-26-18-28-22-48-36-16-8-4-12-32(36)44-40-24-39-43-31-11-3-7-15-35(31)47-21-27(28)17-25(26)19-45-33/h1-18,23-24,41,44H,19-22H2/b37-23-,40-24-,42-38+,43-39+
InChIKey	RFMTUXUAXGUELS-GEVVYJLCSA-N
Instrument Name	GC MS-QP1000 EX or MS 5988
Ionization Type	EI
Literature Reference DOI	10.3998/ark.5550190.0010.a07
Molecular Weight	638.688 g/mol
SMILES	N1c2ccccc2OCc2cc3COc4c(\N=N\C=N/Nc5ccccc5OCc3cc2COc2c(\N=N\C=N/1)cccc2)cccc4
SPLASH	splash10-0a4i-0901000000-0da81720d24a91f5445e
Source of Spectrum	ARK-2009-69-11
Thin-Layer Chromatography	Rf = 0.45 (CH2Cl2/petroleum ether, 5:1)
Wiley ID	1869590