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#18;(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-ALLYLOXYCARBONYLAMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]

View entire compound with spectra: 1 NMR

#18;(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-ALLYLOXYCARBONYLAMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]
SpectraBase Compound ID ETAhKxqn0LA
InChI InChI=1S/2C39H48N4O12/c2*1-7-10-54-38(48)40-30-18-34(32(50-5)16-28(30)36(46)42-20-24(3)14-26(42)22-44)52-12-9-13-53-35-19-31(41-39(49)55-11-8-2)29(17-33(35)51-6)37(47)43-21-25(4)15-27(43)23-45/h2*7-8,16-19,26-27,44-45H,1-4,9-15,20-23H2,5-6H3,(H,40,48)(H,41,49)/t2*26-,27-/m00/s1
InChIKey HYSATGDZSMQHPN-ZTPOYIBPSA-N
Mol Weight 1529.7 g/mol
Molecular Formula C78H96N8O24
Exact Mass 1528.653746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gx2lCb9JVeK
Name #18;(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-ALLYLOXYCARBONYLAMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H96N8O24
InChI InChI=1S/2C39H48N4O12/c2*1-7-10-54-38(48)40-30-18-34(32(50-5)16-28(30)36(46)42-20-24(3)14-26(42)22-44)52-12-9-13-53-35-19-31(41-39(49)55-11-8-2)29(17-33(35)51-6)37(47)43-21-25(4)15-27(43)23-45/h2*7-8,16-19,26-27,44-45H,1-4,9-15,20-23H2,5-6H3,(H,40,48)(H,41,49)/t2*26-,27-/m00/s1
InChIKey HYSATGDZSMQHPN-ZTPOYIBPSA-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 1529.659 g/mol
Sample ID 44352
Solvent CDCl3