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N-(3,5-DI-TERT.-BUTYL-4-HYDROXYBENZOYL)-L-CYSTINE-ETHYLESTER
SpectraBase Compound ID J0oJkTfOVTA
InChI InChI=1S/C40H60N2O8S2/c1-15-49-35(47)29(41-33(45)23-17-25(37(3,4)5)31(43)26(18-23)38(6,7)8)21-51-52-22-30(36(48)50-16-2)42-34(46)24-19-27(39(9,10)11)32(44)28(20-24)40(12,13)14/h17-20,29-30,43-44H,15-16,21-22H2,1-14H3,(H,41,45)(H,42,46)/t29-,30-/m0/s1
InChIKey VOFWZGSAAOBJBK-KYJUHHDHSA-N
Mol Weight 761.0 g/mol
Molecular Formula C40H60N2O8S2
Exact Mass 760.379109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8unDJm2oQT
Name N-(3,5-DI-TERT.-BUTYL-4-HYDROXYBENZOYL)-L-CYSTINE-ETHYLESTER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60N2O8S2
InChI InChI=1S/C40H60N2O8S2/c1-15-49-35(47)29(41-33(45)23-17-25(37(3,4)5)31(43)26(18-23)38(6,7)8)21-51-52-22-30(36(48)50-16-2)42-34(46)24-19-27(39(9,10)11)32(44)28(20-24)40(12,13)14/h17-20,29-30,43-44H,15-16,21-22H2,1-14H3,(H,41,45)(H,42,46)/t29-,30-/m0/s1
InChIKey VOFWZGSAAOBJBK-KYJUHHDHSA-N
Literature Reference Author C.PETIT,V.BERNARDES-GENISSON,P.HOFFMANN,J.P.SOUCHARD,S.LABID ALLE
Literature Reference Citation CHEM.PHARM.BULL.,48,1634(2000)
Literature Reference DOI 10.1248/cpb.48.1634
Molecular Weight 761.045 g/mol
Solvent CDCl3
Source File Reference UWVN4646