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(1R,2S,5R,6S,9S,10S)-8-IMINO-6-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-4,7,11-TRIOXATETRACYCLO-[4.3.1.1(2,5).0(9,10)]-UNDECAN-9-OIC-ACID

View entire compound with spectra: 1 NMR

(1R,2S,5R,6S,9S,10S)-8-IMINO-6-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-4,7,11-TRIOXATETRACYCLO-[4.3.1.1(2,5).0(9,10)]-UNDECAN-9-OIC-ACID
SpectraBase Compound ID 5uXIJgToAOo
InChI InChI=1S/2C14H14N2O7/c2*1-2-20-9(17)5(3-15)14-8-7(6-4-21-12(14)22-6)13(8,11(18)19)10(16)23-14/h2*5-8,12,16H,2,4H2,1H3,(H,18,19)/t5-,6+,7+,8-,12+,13-,14-;5-,6-,7-,8+,12-,13+,14+/m01/s1
InChIKey DKBQBXAHVFBTNG-WHLUJOGXSA-N
Mol Weight 644.55 g/mol
Molecular Formula C28H28N4O14
Exact Mass 644.160202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPFkZlAFPZg
Name (1R,2S,5R,6S,9S,10S)-8-IMINO-6-[1-CYANO-1-ETHOXYCARBONYLMETHYL]-4,7,11-TRIOXATETRACYCLO-[4.3.1.1(2,5).0(9,10)]-UNDECAN-9-OIC-ACID
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N4O14
InChI InChI=1S/2C14H14N2O7/c2*1-2-20-9(17)5(3-15)14-8-7(6-4-21-12(14)22-6)13(8,11(18)19)10(16)23-14/h2*5-8,12,16H,2,4H2,1H3,(H,18,19)/t5-,6+,7+,8-,12+,13-,14-;5-,6-,7-,8+,12-,13+,14+/m01/s1
InChIKey DKBQBXAHVFBTNG-WHLUJOGXSA-N
Literature Reference Author E.V.GOROBETS,L.V.SPIRIKHIN,I.P.TZYPYSHEVA,M.S.MIFTAKHOV,F.A. VALEEV
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1088(2001)
Literature Reference DOI 10.1023/A:1013123927066
Molecular Weight 644.549 g/mol
Solvent CDCl3
Source File Reference UWVN5590