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METHYL-3,4-BIS-(7-((2S-METHYL-3-ACRYLOYL-4S-TERT.-BUTYL-2-OXAZOLIDINYL)-HEPTYL)-OXY)-BENZOATE;MAJOR-ROTATIONAL-ISOMER
SpectraBase Compound ID 4L5i18qmoff
InChI InChI=1S/2C44H70N2O8/c2*1-12-38(47)45-36(41(3,4)5)31-53-43(45,9)26-20-16-14-18-22-28-51-34-25-24-33(40(49)50-11)30-35(34)52-29-23-19-15-17-21-27-44(10)46(39(48)13-2)37(32-54-44)42(6,7)8/h2*12-13,24-25,30,36-37H,1-2,14-23,26-29,31-32H2,3-11H3/t2*36-,37+,43-,44+/m10/s1
InChIKey WCPWCMSSXRACHP-LEWREQIRSA-N
Mol Weight 1510.1 g/mol
Molecular Formula C88H140N4O16
Exact Mass 1509.026434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9QaaGc4gME
Name METHYL-3,4-BIS-(7-((2S-METHYL-3-ACRYLOYL-4S-TERT.-BUTYL-2-OXAZOLIDINYL)-HEPTYL)-OXY)-BENZOATE;MINOR-ROTATIONAL-ISOMER
Compound Number (S )-16(7)BU
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H140N4O16
InChI InChI=1S/2C44H70N2O8/c2*1-12-38(47)45-36(41(3,4)5)31-53-43(45,9)26-20-16-14-18-22-28-51-34-25-24-33(40(49)50-11)30-35(34)52-29-23-19-15-17-21-27-44(10)46(39(48)13-2)37(32-54-44)42(6,7)8/h2*12-13,24-25,30,36-37H,1-2,14-23,26-29,31-32H2,3-11H3/t2*36-,37+,43-,44+/m10/s1
InChIKey WCPWCMSSXRACHP-LEWREQIRSA-N
Literature Reference Author N.A.PORTER,G.S.MIRACLE,S.M.CANNIZZARO,R.L.CARTER,A.T.MCPHAIL ,L.LIU
Literature Reference Citation J.AM.CHEM.SOC.,116,10255(1994)
Literature Reference DOI 10.1021/ja00101a049
Molecular Weight 1510.097 g/mol
Solvent CDCl3