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(-)-(3R,4R,5R)-3-(3',4'-DIMETHOXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA,ALPHA-BIS-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)-BUTYROLACTONE

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(-)-(3R,4R,5R)-3-(3',4'-DIMETHOXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA,ALPHA-BIS-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)-BUTYROLACTONE
SpectraBase Compound ID 3HXOIn3rNUl
InChI InChI=1S/C44H52O7S2/c1-28(2)34-21-18-29(3)24-38(34)50-43-41(35(42(45)51-43)25-30-19-22-36(46-4)39(26-30)48-6)44(52-32-14-10-8-11-15-32,53-33-16-12-9-13-17-33)31-20-23-37(47-5)40(27-31)49-7/h8-17,19-20,22-23,26-29,34-35,38,41,43H,18,21,24-25H2,1-7H3/t29?,34?,35-,38?,41-,43-/m1/s1
InChIKey QPVKKKPGFTXAKZ-QODUDWHFSA-N
Mol Weight 757.0 g/mol
Molecular Formula C44H52O7S2
Exact Mass 756.315446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oYPm9RvR7u
Name (-)-(3R,4R,5R)-3-(3',4'-DIMETHOXYBENZYL)-4-[3'',4''-DIMETHOXY-ALPHA,ALPHA-BIS-(PHENYLTHIO)-BENZYL]-5-(1-MENTHYLOXY)-BUTYROLACTONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H52O7S2
InChI InChI=1S/C44H52O7S2/c1-28(2)34-21-18-29(3)24-38(34)50-43-41(35(42(45)51-43)25-30-19-22-36(46-4)39(26-30)48-6)44(52-32-14-10-8-11-15-32,53-33-16-12-9-13-17-33)31-20-23-37(47-5)40(27-31)49-7/h8-17,19-20,22-23,26-29,34-35,38,41,43H,18,21,24-25H2,1-7H3/t29?,34?,35-,38?,41-,43-/m1/s1
InChIKey QPVKKKPGFTXAKZ-QODUDWHFSA-N
Literature Reference Author A.PELTER,R.S.WARD,D.M.JONES,P.MADDOCKS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2631(1993)
Literature Reference DOI 10.1039/p19930002631
Molecular Weight 757.013 g/mol
Solvent CDCl3
Source File Reference UWRU4116