Ethyl 7,14,23,30-tetraoxo-6,7,8,13,14,15,22,23,24,29,30,31-dodecahydrotetrabenzo[b,h,n,t][1,4,13,16,7,10,19,22]tetraoxatetraazacyclotetracosine-10,27-dicarboxylate

SpectraBase Compound ID	8sGV89XXBut
InChI	InChI=1S/C38H36N4O12/c1-3-49-37(47)23-13-15-25-27(17-23)41-35(45)21-53-31-11-7-8-12-32(31)54-22-36(46)42-28-18-24(38(48)50-4-2)14-16-26(28)40-34(44)20-52-30-10-6-5-9-29(30)51-19-33(43)39-25/h5-18H,3-4,19-22H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKey	AOOABIWJKVZPEZ-UHFFFAOYSA-N Google Search
Mol Weight	740.7 g/mol
Molecular Formula	C38H36N4O12
Exact Mass	740.232973 g/mol

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SpectraBase Spectrum ID	FNltEf39jrY
Name	Ethyl 7,14,23,30-tetraoxo-6,7,8,13,14,15,22,23,24,29,30,31-dodecahydrotetrabenzo[b,h,n,t][1,4,13,16,7,10,19,22]tetraoxatetraazacyclotetracosine-10,27-dicarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H36N4O12
InChI	InChI=1S/C38H36N4O12/c1-3-49-37(47)23-13-15-25-27(17-23)41-35(45)21-53-31-11-7-8-12-32(31)54-22-36(46)42-28-18-24(38(48)50-4-2)14-16-26(28)40-34(44)20-52-30-10-6-5-9-29(30)51-19-33(43)39-25/h5-18H,3-4,19-22H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKey	AOOABIWJKVZPEZ-UHFFFAOYSA-N
Molecular Weight	740.722 g/mol
SMILES	N1C(COc2c(OCC(Nc3c(NC(COc4c(OCC(Nc5c1cc(C(=O)OCC)cc5)=O)cccc4)=O)ccc(C(=O)OCC)c3)=O)cccc2)=O
SPLASH	splash10-0fk9-3923000000-b0f77198e489c420e337
Source of Spectrum	F4-0-1002-4
Synonyms	Diethyl 7,14,23,30-tetraoxo-6,7,8,13,14,15,22,23,24,29,30,31-dodecahydrotetrabenzo[b,h,n,t][1,4,13,16,7,10,19,22]tetraoxatetraazacyclotetracosine-10,27-dicarboxylate
Wiley ID	1619424