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LLC-2-12
SpectraBase Compound ID 4Yl0n3ZNoLz
InChI InChI=1S/C47H93NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-30-27-24-21-19-18-20-23-26-29-32-37(2)3/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t38-,39-,40+,41-,42+,43-,44+,45-,47-/m0/s1
InChIKey PGDPQIPDTOUMGS-XFORPLNGSA-N
Mol Weight 832.3 g/mol
Molecular Formula C47H93NO10
Exact Mass 831.679948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBK1jCdVi1
Name LLC-2-12
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H93NO10
InChI InChI=1S/C47H93NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-30-27-24-21-19-18-20-23-26-29-32-37(2)3/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t38-,39-,40+,41-,42+,43-,44+,45-,47-/m0/s1
InChIKey PGDPQIPDTOUMGS-XFORPLNGSA-N
Literature Reference Author T.MARUTA,T.SAITO,M.INAGAKI,O.SHIBATA,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,53,1255(2005)
Literature Reference DOI 10.1248/cpb.53.1255
Molecular Weight 832.256 g/mol
Sample ID 46157
Solvent C5D5N