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#1A;(3S,6S,7R,9AR)-6-[[[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-AMINO]-7-METHYL-5-OXO-2,3,5,6,7,9A-HEXAHYDRO-1H-PYRROLO-[1,2-A]-AZEPINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID Ey9ErVIijwo
InChI InChI=1S/C26H26N2O5/c1-15-10-11-16-12-13-22(25(30)31)28(16)24(29)23(15)27-26(32)33-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-11,15-16,21-23H,12-14H2,1H3,(H,27,32)(H,30,31)/t15-,16+,22+,23+/m1/s1
InChIKey OLYRVQYCOIQFJO-QODMOLNLSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID S1gYfwwo9r
Name #1A;(3S,6S,7R,9AR)-6-[[[(9H-FLUOREN-9-YL)-METHOXY]-CARBONYL]-AMINO]-7-METHYL-5-OXO-2,3,5,6,7,9A-HEXAHYDRO-1H-PYRROLO-[1,2-A]-AZEPINE-3-CARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c1-15-10-11-16-12-13-22(25(30)31)28(16)24(29)23(15)27-26(32)33-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-11,15-16,21-23H,12-14H2,1H3,(H,27,32)(H,30,31)/t15-,16+,22+,23+/m1/s1
InChIKey OLYRVQYCOIQFJO-QODMOLNLSA-N
Literature Reference Author C.REUTER,M.KLECZKA,S.D.MAZANCOURT,J.M.NEUDOERFL,R.KUEHNE,H.G .SCHMALZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,2664(2014)
Literature Reference DOI 10.1002/ejoc.201301875
Molecular Weight 446.503 g/mol
Solvent CDCl3
Source File Reference UWIR18545