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[1R,(2Z)]-1-[(1S)-1-[[(4S)-4-ISOPROPYL-2-OXO-1,3-OXAZOLIDIN-3-YL]-CARBONYL]-4-METHYL-PENT-4-ENYL]-3,7-DIMETHYL-OCTA-2,6-DIENYL-3,5-DINITROBENZOATE

View entire compound with spectra: 1 NMR

[1R,(2Z)]-1-[(1S)-1-[[(4S)-4-ISOPROPYL-2-OXO-1,3-OXAZOLIDIN-3-YL]-CARBONYL]-4-METHYL-PENT-4-ENYL]-3,7-DIMETHYL-OCTA-2,6-DIENYL-3,5-DINITROBENZOATE
SpectraBase Compound ID KTcRgzr1Y1H
InChI InChI=1S/C30H39N3O9/c1-18(2)9-8-10-21(7)13-27(42-29(35)22-14-23(32(37)38)16-24(15-22)33(39)40)25(12-11-19(3)4)28(34)31-26(20(5)6)17-41-30(31)36/h9,13-16,20,25-27H,3,8,10-12,17H2,1-2,4-7H3/b21-13-/t25-,26+,27+/m0/s1
InChIKey FVNMWDPRIAURIC-HNWQADEUSA-N
Mol Weight 585.7 g/mol
Molecular Formula C30H39N3O9
Exact Mass 585.26863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sSILcsKS67
Name [1R,(2Z)]-1-[(1S)-1-[[(4S)-4-ISOPROPYL-2-OXO-1,3-OXAZOLIDIN-3-YL]-CARBONYL]-4-METHYL-PENT-4-ENYL]-3,7-DIMETHYL-OCTA-2,6-DIENYL-3,5-DINITROBENZOATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39N3O9
InChI InChI=1S/C30H39N3O9/c1-18(2)9-8-10-21(7)13-27(42-29(35)22-14-23(32(37)38)16-24(15-22)33(39)40)25(12-11-19(3)4)28(34)31-26(20(5)6)17-41-30(31)36/h9,13-16,20,25-27H,3,8,10-12,17H2,1-2,4-7H3/b21-13-/t25-,26+,27+/m0/s1
InChIKey FVNMWDPRIAURIC-HNWQADEUSA-N
Literature Reference Author S.KRIENING,A.EVAGELOU,B.CLAASEN,A.BARO,S.LASCHAT
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6720(2014)
Literature Reference DOI 10.1002/ejoc.201402736
Molecular Weight 585.654 g/mol
Solvent CDCl3
Source File Reference UWIR19445