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(-)-(3S,4R,5R,6R)-3-(3',4'-DIMETHOXY-ALPHA-HYDROXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA,ALPHA-BIS-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)
SpectraBase Compound ID 4XnlY2z794A
InChI InChI=1S/C44H52O8S2/c1-27(2)33-21-18-28(3)24-36(33)51-43-40(39(42(46)52-43)41(45)29-19-22-34(47-4)37(25-29)49-6)44(53-31-14-10-8-11-15-31,54-32-16-12-9-13-17-32)30-20-23-35(48-5)38(26-30)50-7/h8-17,19-20,22-23,25-28,33,36,39-41,43,45H,18,21,24H2,1-7H3/t28?,33?,36?,39-,40+,41-,43+/m1/s1
InChIKey JEGKJMRZYYMGSD-BZLAMLIUSA-N
Mol Weight 773.0 g/mol
Molecular Formula C44H52O8S2
Exact Mass 772.310361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AiSClFbuEIZ
Name (-)-(3S,4R,5R,6R)-3-(3',4'-DIMETHOXY-ALPHA-HYDROXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA,ALPHA-BIS-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H52O8S2
InChI InChI=1S/C44H52O8S2/c1-27(2)33-21-18-28(3)24-36(33)51-43-40(39(42(46)52-43)41(45)29-19-22-34(47-4)37(25-29)49-6)44(53-31-14-10-8-11-15-31,54-32-16-12-9-13-17-32)30-20-23-35(48-5)38(26-30)50-7/h8-17,19-20,22-23,25-28,33,36,39-41,43,45H,18,21,24H2,1-7H3/t28?,33?,36?,39-,40+,41-,43+/m1/s1
InChIKey JEGKJMRZYYMGSD-BZLAMLIUSA-N
Literature Reference Author A.PELTER,R.S.WARD,D.M.JONES,P.MADDOCKS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2621(1993)
Literature Reference DOI 10.1039/p19930002621
Molecular Weight 773.012 g/mol
Solvent CDCl3
Source File Reference UWRU3500