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(S,S,R)-(-)-TRIBENZYLACTINONIN;MAJOR-ROTAMER
SpectraBase Compound ID BSt04LdZRJc
InChI InChI=1S/C40H53N3O5/c1-4-5-9-23-35(26-37(44)43(27-32-17-10-6-11-18-32)48-29-34-21-14-8-15-22-34)39(45)41-38(31(2)3)40(46)42-25-16-24-36(42)30-47-28-33-19-12-7-13-20-33/h6-8,10-15,17-22,31,35-36,38H,4-5,9,16,23-30H2,1-3H3,(H,41,45)/t35-,36+,38+/m1/s1
InChIKey SGZGVDTWWKQVDF-PIFNACGGSA-N
Mol Weight 655.9 g/mol
Molecular Formula C40H53N3O5
Exact Mass 655.398522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOeGjjgVout
Name (S,S,R)-(-)-TRIBENZYLACTINONIN;MAJOR-ROTAMER
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H53N3O5
InChI InChI=1S/C40H53N3O5/c1-4-5-9-23-35(26-37(44)43(27-32-17-10-6-11-18-32)48-29-34-21-14-8-15-22-34)39(45)41-38(31(2)3)40(46)42-25-16-24-36(42)30-47-28-33-19-12-7-13-20-33/h6-8,10-15,17-22,31,35-36,38H,4-5,9,16,23-30H2,1-3H3,(H,41,45)/t35-,36+,38+/m1/s1
InChIKey SGZGVDTWWKQVDF-PIFNACGGSA-N
Literature Reference Author G.BASHIARDES,G.J.BODWELL,S.G.DAVIES
Literature Reference Citation J.CHEM.SOC.PERKIN-1,459(1993)
Literature Reference DOI 10.1039/p19930000459
Molecular Weight 655.878 g/mol
Solvent CDCl3
Source File Reference UWCS16459