Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=ef7d6dLXMu SpectraBase Spectrum ID=5Tf0S0WM59k
http://spectrabase.com/spectrum/5Tf0S0WM59k (accessed Nov 22, 2019).

POLYDISCAMIDE-A
SpectraBase Compound ID ef7d6dLXMu
InChI InChI=1S/C75H110BrN19O20S.Na/c1-12-75(9,10)59(92-67(106)58(74(6,7)8)91-66(105)53-22-16-30-94(53)69(108)48(86-60(99)39(4)83-37-96)32-41-23-25-43(76)26-24-41)68(107)85-47(33-42-35-82-45-19-14-13-18-44(42)45)62(101)84-46(20-15-29-81-73(79)80)61(100)88-50(36-116(112,113)114)63(102)90-57-40(5)115-72(111)49(34-55(78)98)87-65(104)52-21-17-31-95(52)71(110)56(38(2)3)89-64(103)51(27-28-54(77)97)93(11)70(57)109;/h13-14,18-19,23-26,35,37-40,46-53,56-59,82H,12,15-17,20-22,27-34,36H2,1-11H3,(H2,77,97)(H2,78,98)(H,83,96)(H,84,101)(H,85,107)(H,86,99)(H,87,104)(H,88,100)(H,89,103)(H,90,102)(H,91,105)(H,92,106)(H4,79,80,81)(H,112,113,114);/q;+1/p-1/t39-,40-,46-,47-,48+,49-,50+,51?,52+,53?,56-,57+,58+,59?;/m0./s1
InChIKey KBTQNRNPVXIUKX-DDLXXGHSSA-M
Mol Weight 1731.8 g/mol
Molecular Formula C75H109BrN19NaO20S
Exact Mass 1729.689806 g/mol

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SpectraBase Spectrum ID 5Tf0S0WM59k
SpectraBase Batch ID CbZFOvcigIc
Name POLYDISCAMIDE-A
Copyright Copyright © 2016 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H109BrN19NaO20S
InChI InChI=1S/C75H110BrN19O20S.Na/c1-12-75(9,10)59(92-67(106)58(74(6,7)8)91-66(105)53-22-16-30-94(53)69(108)48(86-60(99)39(4)83-37-96)32-41-23-25-43(76)26-24-41)68(107)85-47(33-42-35-82-45-19-14-13-18-44(42)45)62(101)84-46(20-15-29-81-73(79)80)61(100)88-50(36-116(112,113)114)63(102)90-57-40(5)115-72(111)49(34-55(78)98)87-65(104)52-21-17-31-95(52)71(110)56(38(2)3)89-64(103)51(27-28-54(77)97)93(11)70(57)109;/h13-14,18-19,23-26,35,37-40,46-53,56-59,82H,12,15-17,20-22,27-34,36H2,1-11H3,(H2,77,97)(H2,78,98)(H,83,96)(H,84,101)(H,85,107)(H,86,99)(H,87,104)(H,88,100)(H,89,103)(H,90,102)(H,91,105)(H,92,106)(H4,79,80,81)(H,112,113,114);/q;+1/p-1/t39-,40-,46-,47-,48+,49-,50+,51?,52+,53?,56-,57+,58+,59?;/m0./s1
InChIKey KBTQNRNPVXIUKX-DDLXXGHSSA-M
Literature Reference Author N.K.GULAVITA,S.P.GUNASEKERA,S.A.POMPONI,E.V.ROBINSON
Literature Reference Citation J.ORG.CHEM.,57,1767(1992)
Literature Reference DOI 10.1021/jo00032a031
Molecular Weight 1731.760 g/mol
Solvent CD3OD
Source File Reference UWCS1911