John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IP6xP1J0wdd SpectraBase Spectrum ID=2ASzZbaPmb6

(accessed ).
(3AS,4E,2'S)-4-(2',3'-DIACETOXYPROPYLIDEN)-2-TOSYL-2,3,3A,4-TETRAHYDRO-1H-CYCLOPENTA-[C]-PYRROLE-5-ONE
SpectraBase Compound ID IP6xP1J0wdd
InChI InChI=1S/C21H23NO8S/c1-13-4-6-18(7-5-13)31(26,27)30-22-10-16-8-21(25)19(20(16)11-22)9-17(29-15(3)24)12-28-14(2)23/h4-9,17,20H,10-12H2,1-3H3/b19-9+/t17-,20-/m0/s1
InChIKey KZONCBCWYBCQEN-JTOLNUPUSA-N
Mol Weight 449.47 g/mol
Molecular Formula C21H23NO8S
Exact Mass 449.114439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ASzZbaPmb6
Name (3AS,4E,2'S)-4-(2',3'-DIACETOXYPROPYLIDEN)-2-TOSYL-2,3,3A,4-TETRAHYDRO-1H-CYCLOPENTA-[C]-PYRROLE-5-ONE
Compound Number 8A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23NO8S
InChI InChI=1S/C21H23NO8S/c1-13-4-6-18(7-5-13)31(26,27)30-22-10-16-8-21(25)19(20(16)11-22)9-17(29-15(3)24)12-28-14(2)23/h4-9,17,20H,10-12H2,1-3H3/b19-9+/t17-,20-/m0/s1
InChIKey KZONCBCWYBCQEN-JTOLNUPUSA-N
Literature Reference Author P.ARECES,M.A.DURAN,J.PLUMET,M.B.HURSTHOUSE,M.E.LIGHT
Literature Reference Citation J.ORG.CHEM.,67,3506(2002)
Literature Reference DOI 10.1021/jo011129+
Molecular Weight 449.476 g/mol
Solvent CDCl3
Source File Reference UWLU25688
SpectraBase Batch ID JgiHZeYJ76o