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#DIA-3B;(4AS,6AR,9S,11AR)-1-[[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-11-OXO-2,3,4,4A,6A,7,8,9,11,11A-DECAHYDRO-1H-PYRIDO-[3,2-E]-PYRROLO-[1,2-A]-AZEPINE-9
SpectraBase Compound ID 4lufWSFX6Fw
InChI InChI=1S/2C28H28N2O5/c2*31-26-25-17(11-12-18-13-14-24(27(32)33)30(18)26)6-5-15-29(25)28(34)35-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h2*1-4,7-12,17-18,23-25H,5-6,13-16H2,(H,32,33)/t2*17-,18-,24-,25+/m00/s1
InChIKey JYZYEDBOMJNFSX-VOUNZKBLSA-N
Mol Weight 945.08 g/mol
Molecular Formula C56H56N4O10
Exact Mass 944.399644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EdiXJ7Vsew1
Name #DIA-3B;(4AS,6AR,9S,11AR)-1-[[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-11-OXO-2,3,4,4A,6A,7,8,9,11,11A-DECAHYDRO-1H-PYRIDO-[3,2-E]-PYRROLO-[1,2-A]-AZEPINE-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H56N4O10
InChI InChI=1S/2C28H28N2O5/c2*31-26-25-17(11-12-18-13-14-24(27(32)33)30(18)26)6-5-15-29(25)28(34)35-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h2*1-4,7-12,17-18,23-25H,5-6,13-16H2,(H,32,33)/t2*17-,18-,24-,25+/m00/s1
InChIKey JYZYEDBOMJNFSX-VOUNZKBLSA-N
Literature Reference Author A.SOICKE,C.REUTER,M.WINTER,J.M.NEUDOERFL,N.SCHLOERER,R.KUHNE ,H.G.SCHMALZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6467(2014)
Literature Reference DOI 10.1002/ejoc.201402737
Molecular Weight 945.081 g/mol
Solvent CDCl3
Source File Reference UWIR19232