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LCA-[G#1]-CO2CH2C6H5
SpectraBase Compound ID Cn11ZF0ULD7
InChI InChI=1S/C64H96O10/c1-40(51-21-23-53-49-19-17-45-35-47(73-42(3)65)27-31-61(45,6)55(49)29-33-63(51,53)8)15-25-57(67)71-38-60(5,59(69)70-37-44-13-11-10-12-14-44)39-72-58(68)26-16-41(2)52-22-24-54-50-20-18-46-36-48(74-43(4)66)28-32-62(46,7)56(50)30-34-64(52,54)9/h10-14,40-41,45-56H,15-39H2,1-9H3/t40-,41-,45-,46-,47-,48-,49+,50+,51-,52-,53+,54+,55+,56+,61+,62+,63-,64-/m1/s1
InChIKey MVMMWEPOHKKTSV-XPWUUZLNSA-N
Mol Weight 1025.5 g/mol
Molecular Formula C64H96O10
Exact Mass 1024.700349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsjZ0za13BP
Name LCA-[G#1]-CO2CH2C6H5
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H96O10
InChI InChI=1S/C64H96O10/c1-40(51-21-23-53-49-19-17-45-35-47(73-42(3)65)27-31-61(45,6)55(49)29-33-63(51,53)8)15-25-57(67)71-38-60(5,59(69)70-37-44-13-11-10-12-14-44)39-72-58(68)26-16-41(2)52-22-24-54-50-20-18-46-36-48(74-43(4)66)28-32-62(46,7)56(50)30-34-64(52,54)9/h10-14,40-41,45-56H,15-39H2,1-9H3/t40-,41-,45-,46-,47-,48-,49+,50+,51-,52-,53+,54+,55+,56+,61+,62+,63-,64-/m1/s1
InChIKey MVMMWEPOHKKTSV-XPWUUZLNSA-N
Literature Reference Author J.ROPPONEN,J.TAMMINEN,M.LAHTINEN,J.LINNANTO,K.RISSANEN,E.KOL EHMAINEN
Literature Reference Citation EUR.J.ORG.CHEM.,73(2005)
Molecular Weight 1025.460 g/mol
Sample ID 42203
Solvent CDCl3