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9R-CIS-ISOMER
SpectraBase Compound ID AFE9LzwYcnN
InChI InChI=1S/C62H113NO12Si3/c1-25-46-33-40(2)32-41(3)34-52(69-17)55(75-78(23,24)61(13,14)15)53(70-18)36-43(5)56(65)62(39-71-62)58(67)63-31-27-26-28-47(63)57(66)72-54(44(6)50(38-48(46)64)74-77(21,22)60(10,11)12)42(4)35-45-29-30-49(51(37-45)68-16)73-76(19,20)59(7,8)9/h33,35,41,43-47,49-55H,25-32,34,36-39H2,1-24H3/b40-33-,42-35+/t41?,43?,44?,45-,46-,47-,49+,50+,51+,52+,53+,54+,55-,62+/m0/s1
InChIKey NFWLIHOSLFIVGE-XHEMXOHXSA-N
Mol Weight 1148.8 g/mol
Molecular Formula C62H113NO12Si3
Exact Mass 1147.757058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93MT0ndLxQK
Name 9R-CIS-ISOMER
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H113NO12Si3
InChI InChI=1S/C62H113NO12Si3/c1-25-46-33-40(2)32-41(3)34-52(69-17)55(75-78(23,24)61(13,14)15)53(70-18)36-43(5)56(65)62(39-71-62)58(67)63-31-27-26-28-47(63)57(66)72-54(44(6)50(38-48(46)64)74-77(21,22)60(10,11)12)42(4)35-45-29-30-49(51(37-45)68-16)73-76(19,20)59(7,8)9/h33,35,41,43-47,49-55H,25-32,34,36-39H2,1-24H3/b40-33-,42-35+/t41?,43?,44?,45-,46-,47-,49+,50+,51+,52+,53+,54+,55-,62+/m0/s1
InChIKey NFWLIHOSLFIVGE-XHEMXOHXSA-N
Literature Reference Author K.BAUMANN,K.HOEGENAUER,G.SCHULZ,A.STECK
Literature Reference Citation MAGN.RES.CHEM.,40,443(2002)
Literature Reference DOI 10.1002/mrc.1044
Molecular Weight 1148.835 g/mol
Solvent CDCl3
Source File Reference UWKP6898