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(5-ALPHA,6-ALPHA)-7,8-DIDEHYDRO-4,5-EPOXY-17-(R)-AMINOMETHYLMORPHINAN-3,6-DIBENZOYL-2,4,6-TRIMETHYLBENZENESULFONATE
SpectraBase Compound ID 5fmAzZHeWb3
InChI InChI=1S/C31H29N2O5.C9H12O3S/c1-33(32)17-16-31-22-13-15-25(37-30(35)20-10-6-3-7-11-20)28(31)38-27-24(14-12-21(26(27)31)18-23(22)33)36-29(34)19-8-4-2-5-9-19;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-15,22-23,25,28H,16-18,32H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1/t22?,23-,25+,28+,31+,33-;/m1./s1
InChIKey YCOLMHKRARXNMR-CYGJHNLRSA-M
Mol Weight 708.83 g/mol
Molecular Formula C40H40N2O8S
Exact Mass 708.250537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Kb39tGBiRI
Name (5-ALPHA,6-ALPHA)-7,8-DIDEHYDRO-4,5-EPOXY-17-(R)-AMINOMETHYLMORPHINAN-3,6-DIBENZOYL-2,4,6-TRIMETHYLBENZENESULFONATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H40N2O8S
InChI InChI=1S/C31H29N2O5.C9H12O3S/c1-33(32)17-16-31-22-13-15-25(37-30(35)20-10-6-3-7-11-20)28(31)38-27-24(14-12-21(26(27)31)18-23(22)33)36-29(34)19-8-4-2-5-9-19;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-15,22-23,25,28H,16-18,32H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1/t22?,23-,25+,28+,31+,33-;/m1./s1
InChIKey YCOLMHKRARXNMR-CYGJHNLRSA-M
Literature Reference Author B.CAPUANO,I.T.CROSBY,E.J.LLOYD,J.E.NEVE,D.A.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,61,422(2008)
Literature Reference DOI 10.1071/ch08060
Molecular Weight 708.826 g/mol
Sample ID 40521
Solvent CDCl3