(12E,25E)-16,21,33-tribromo-4,17-dimethoxy-12,25-bis(methoxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2(20,23).1(3,7).1(14,18)]octatriaconta-1(32),3,5,7(38),14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione

SpectraBase Compound ID	IyEejgOHZM
InChI	InChI=1S/C38H37Br3N4O8/c1-48-33-10-6-23-12-14-43-38(47)30(45-51-4)19-25-17-28(41)36(49-2)35(21-25)53-32-9-7-24(16-27(32)40)18-29(44-50-3)37(46)42-13-11-22-5-8-31(26(39)15-22)52-34(33)20-23/h5-10,15-17,20-21H,11-14,18-19H2,1-4H3,(H,42,46)(H,43,47)/b44-29+,45-30+
InChIKey	ZPMYGNUXYVLYBW-DNBAPOOWSA-N Google Search
Mol Weight	917.4 g/mol
Molecular Formula	C38H37Br3N4O8
Exact Mass	914.016153 g/mol

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SpectraBase Spectrum ID	1n2sFVCfLM
Name	(12E,25E)-16,21,33-tribromo-4,17-dimethoxy-12,25-bis(methoxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2(20,23).1(3,7).1(14,18)]octatriaconta-1(32),3,5,7(38),14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione
Appearance	Pale yellow gum
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H37Br3N4O8
InChI	InChI=1S/C38H37Br3N4O8/c1-48-33-10-6-23-12-14-43-38(47)30(45-51-4)19-25-17-28(41)36(49-2)35(21-25)53-32-9-7-24(16-27(32)40)18-29(44-50-3)37(46)42-13-11-22-5-8-31(26(39)15-22)52-34(33)20-23/h5-10,15-17,20-21H,11-14,18-19H2,1-4H3,(H,42,46)(H,43,47)/b44-29+,45-30+
InChIKey	ZPMYGNUXYVLYBW-DNBAPOOWSA-N
Ionization Type	EI
Literature Reference DOI	10.1021/np010520n
Molecular Weight	917.446 g/mol
Reported Formula	C38H37N4O8(81)Br3
SMILES	N1CCc2ccc(Oc3c(ccc(CCNC(\C(=N\OC)Cc4cc(c(c(c4)Br)OC)Oc4c(cc(cc4)C\C(=N/OC)C1=O)Br)=O)c3)OC)c(c2)Br
SPLASH	splash10-00lr-0009300007-4046da0b4fd9debf3f7a
Source of Spectrum	G4-65-755-6
Wiley ID	1883634