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KXTVDUDWXUEIFM-OMQXDSSGSA-N
SpectraBase Compound ID CleHezADYJQ
InChI InChI=1S/C74H143NO12Si4/c1-32-35-59-41-53(14)40-54(15)42-65(81-26)70(87-89(30,31)74(22,23)24)66(82-27)44-55(16)67(76)68(77)71(78)75-39-34-33-36-60(75)72(79)83-69(56(17)43-58-37-38-61(64(45-58)80-25)85-90(47(2)3,48(4)5)49(6)7)57(18)62(46-63(59)84-88(28,29)73(19,20)21)86-91(50(8)9,51(10)11)52(12)13/h32,41,43,47-52,54-55,57-70,76-77H,1,33-40,42,44-46H2,2-31H3/b53-41+,56-43+/t54-,55+,57+,58-,59+,60-,61+,62-,63+,64+,65-,66-,67+,68-,69+,70+/m0/s1
InChIKey KXTVDUDWXUEIFM-OMQXDSSGSA-N
Mol Weight 1351.3 g/mol
Molecular Formula C74H143NO12Si4
Exact Mass 1349.968735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdYwjhyvwQC
Name KXTVDUDWXUEIFM-OMQXDSSGSA-N
Compound Number 87
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H143NO12Si4
InChI InChI=1S/C74H143NO12Si4/c1-32-35-59-41-53(14)40-54(15)42-65(81-26)70(87-89(30,31)74(22,23)24)66(82-27)44-55(16)67(76)68(77)71(78)75-39-34-33-36-60(75)72(79)83-69(56(17)43-58-37-38-61(64(45-58)80-25)85-90(47(2)3,48(4)5)49(6)7)57(18)62(46-63(59)84-88(28,29)73(19,20)21)86-91(50(8)9,51(10)11)52(12)13/h32,41,43,47-52,54-55,57-70,76-77H,1,33-40,42,44-46H2,2-31H3/b53-41+,56-43+/t54-,55+,57+,58-,59+,60-,61+,62-,63+,64+,65-,66-,67+,68-,69+,70+/m0/s1
InChIKey KXTVDUDWXUEIFM-OMQXDSSGSA-N
Literature Reference Author T.K.JONES,R.A.REAMER,R.DESMOND,S.G.MILLS
Literature Reference Citation J.AM.CHEM.SOC.,112,2998(1990)
Literature Reference DOI 10.1021/ja00164a023
Molecular Weight 1351.291 g/mol
Solvent CDCl3
Source File Reference UWRU6586