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1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,11A-TETRAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE];IMINE-FORM

View entire compound with spectra: 1 NMR

1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,11A-TETRAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE];IMINE-FORM
SpectraBase Compound ID 2jRqH1sObht
InChI InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
InChIKey RWZVMMQNDHPRQD-SFTDATJTSA-N
Mol Weight 556.6 g/mol
Molecular Formula C31H32N4O6
Exact Mass 556.232185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtToT6LeCtx
Name 1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,11A-TETRAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5-ONE];IMINE-FORM
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H32N4O6
InChI InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
InChIKey RWZVMMQNDHPRQD-SFTDATJTSA-N
Literature Reference Author S.J.GREGSON,P.W.HOWARD,J.A.HARTLEY,N.A.BROOKS,L.J.ADAMS,T.C. JENKINS,L.R.KELLAND,
Literature Reference Citation J.MED.CHEM.,44,737(2001)
Literature Reference DOI 10.1021/jm001064n
Molecular Weight 556.618 g/mol
Sample ID 44354
Solvent CDCl3