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(1-ALPHA,3-ALPHA,3A-BETA,6A-BETA)-PHENYLMETHYL-OCTAHYDRO-1-(DIPHENYLPHOSPHINOYL)-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE

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(1-ALPHA,3-ALPHA,3A-BETA,6A-BETA)-PHENYLMETHYL-OCTAHYDRO-1-(DIPHENYLPHOSPHINOYL)-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE
SpectraBase Compound ID G1qbQ8r2g9z
InChI InChI=1S/C38H31N2O5P/c41-35-32-33(36(42)40(35)29-20-10-3-11-21-29)38(39-34(32)28-18-8-2-9-19-28,37(43)45-26-27-16-6-1-7-17-27)46(44,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-34,39H,26H2/t32-,33-,34-,38?/m0/s1
InChIKey ILWQMQXYEXODKL-RLLZOUHWSA-N
Mol Weight 626.6 g/mol
Molecular Formula C38H31N2O5P
Exact Mass 626.197059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3m1B04rtuSZ
Name (1-ALPHA,3-ALPHA,3A-BETA,6A-BETA)-PHENYLMETHYL-OCTAHYDRO-1-(DIPHENYLPHOSPHINOYL)-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H31N2O5P
InChI InChI=1S/C38H31N2O5P/c41-35-32-33(36(42)40(35)29-20-10-3-11-21-29)38(39-34(32)28-18-8-2-9-19-28,37(43)45-26-27-16-6-1-7-17-27)46(44,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-34,39H,26H2/t32-,33-,34-,38?/m0/s1
InChIKey ILWQMQXYEXODKL-RLLZOUHWSA-N
Literature Reference Author J.J.G.S.VANES,K.JAARSVELD,A.VANDERGEN
Literature Reference Citation J.ORG.CHEM.,55,4063(1990)
Literature Reference DOI 10.1021/jo00300a022
Molecular Weight 626.648 g/mol
Solvent CDCl3
Source File Reference UWCS14993