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#8A;(2'R,3S,8R)-2',5,6,7',8,8'-HEXAMETHYL-2',8-BIS-[(4R,8R)-4,8,12-TRIMETHYL-TRIDECYL]-1,3',4',8,9,10-HEXAHYDRO-2'H-SPIRO-[BENZO-[1,2-B:4,3-B']-DIPYRAN-
SpectraBase Compound ID 6ZG9UoMcmGc
InChI InChI=1S/C58H96O4/c1-39(2)21-15-23-41(5)25-17-27-43(7)29-19-34-56(13)36-31-49-50-32-38-58(62-53(50)46(10)45(9)52(49)60-56)51-33-37-57(14,61-54(51)47(11)48(12)55(58)59)35-20-30-44(8)28-18-26-42(6)24-16-22-40(3)4/h39-44H,15-38H2,1-14H3/t41-,42-,43-,44-,56-,57-,58+/m1/s1
InChIKey LBZILIZDKITSKL-IHAYSHGYSA-N
Mol Weight 857.4 g/mol
Molecular Formula C58H96O4
Exact Mass 856.730862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFJCGFh0kgp
Name #8A;(2'R,3S,8R)-2',5,6,7',8,8'-HEXAMETHYL-2',8-BIS-[(4R,8R)-4,8,12-TRIMETHYL-TRIDECYL]-1,3',4',8,9,10-HEXAHYDRO-2'H-SPIRO-[BENZO-[1,2-B:4,3-B']-DIPYRAN-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H96O4
InChI InChI=1S/C58H96O4/c1-39(2)21-15-23-41(5)25-17-27-43(7)29-19-34-56(13)36-31-49-50-32-38-58(62-53(50)46(10)45(9)52(49)60-56)51-33-37-57(14,61-54(51)47(11)48(12)55(58)59)35-20-30-44(8)28-18-26-42(6)24-16-22-40(3)4/h39-44H,15-38H2,1-14H3/t41-,42-,43-,44-,56-,57-,58+/m1/s1
InChIKey LBZILIZDKITSKL-IHAYSHGYSA-N
Literature Reference Author H.SCHROEDER,T.NETSCHER
Literature Reference Citation MAGN.RES.CHEM.,39,701(2001)
Literature Reference DOI 10.1002/mrc.927
Molecular Weight 857.398 g/mol
Solvent Unknown
Source File Reference UWSI25140