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(3AS*,9-BETA)-(+/-)-9-ACETOXY-5,6,8,9-TETRAHYDRO-1-HYDROXY-4H-CYCLOPENTA-[A]-[1,3]-DIOXOLO-[4,5-H]-PYRROLO-[2,1-B]-[3]-BENZAZEPIN-2(3H)-ONE
SpectraBase Compound ID 77snjiRnCpx
InChI InChI=1S/C19H19NO6/c1-10(21)26-16-8-20-4-2-3-19(20)7-13(22)18(23)17(19)12-6-15-14(5-11(12)16)24-9-25-15/h5-6,16,23H,2-4,7-9H2,1H3/t16-,19-/m0/s1
InChIKey AUOXRMYWCAEMLU-LPHOPBHVSA-N
Mol Weight 357.36 g/mol
Molecular Formula C19H19NO6
Exact Mass 357.121237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUDBb0APidM
Name (3AS*,9-BETA)-(+/-)-9-ACETOXY-5,6,8,9-TETRAHYDRO-1-HYDROXY-4H-CYCLOPENTA-[A]-[1,3]-DIOXOLO-[4,5-H]-PYRROLO-[2,1-B]-[3]-BENZAZEPIN-2(3H)-ONE
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19NO6
InChI InChI=1S/C19H19NO6/c1-10(21)26-16-8-20-4-2-3-19(20)7-13(22)18(23)17(19)12-6-15-14(5-11(12)16)24-9-25-15/h5-6,16,23H,2-4,7-9H2,1H3/t16-,19-/m0/s1
InChIKey AUOXRMYWCAEMLU-LPHOPBHVSA-N
Literature Reference Author T.P.BURKHOLDER,P.L.FUCHS
Literature Reference Citation J.AM.CHEM.SOC.,112,9601(1990)
Literature Reference DOI 10.1021/ja00182a019
Molecular Weight 357.363 g/mol
Solvent CDCl3