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#9B;(2R,5R,7'R)-2,4',5',7,7',8-HEXAMETHYL-2,7'-BIS-[(4R,8R)-4,8,12-TRIMETHYL-TRIDECYL]-1',2,3,4,6,7',8',9'-OCTAHYDRO-SPIRO-[5H-1-BENZOPYRAN-5,2'-[2H]-FU
SpectraBase Compound ID HAnxdCqj7nY
InChI InChI=1S/C57H94O4/c1-38(2)21-15-23-40(5)25-17-27-42(7)29-19-33-55(13)35-31-48-49-37-57(61-52(49)45(10)44(9)51(48)59-55)50-32-36-56(14,60-53(50)46(11)47(12)54(57)58)34-20-30-43(8)28-18-26-41(6)24-16-22-39(3)4/h38-43H,15-37H2,1-14H3/t40-,41+,42-,43+,55-,56+,57+/m0/s1
InChIKey RJOPHLJFFKIXDE-NLVGKFLOSA-N
Mol Weight 843.4 g/mol
Molecular Formula C57H94O4
Exact Mass 842.715212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLVHoo5M1ql
Name #9B;(2R,5R,7'R)-2,4',5',7,7',8-HEXAMETHYL-2,7'-BIS-[(4R,8R)-4,8,12-TRIMETHYL-TRIDECYL]-1',2,3,4,6,7',8',9'-OCTAHYDRO-SPIRO-[5H-1-BENZOPYRAN-5,2'-[2H]-FU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H94O4
InChI InChI=1S/C57H94O4/c1-38(2)21-15-23-40(5)25-17-27-42(7)29-19-33-55(13)35-31-48-49-37-57(61-52(49)45(10)44(9)51(48)59-55)50-32-36-56(14,60-53(50)46(11)47(12)54(57)58)34-20-30-43(8)28-18-26-41(6)24-16-22-39(3)4/h38-43H,15-37H2,1-14H3/t40-,41+,42-,43+,55-,56+,57+/m0/s1
InChIKey RJOPHLJFFKIXDE-NLVGKFLOSA-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 843.371 g/mol
Solvent Unknown
Source File Reference UWSI24964