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(3AS*,4R*,7R*,7AS*)-3A,4,7,7A-TETRAHYDRO-1,3,8-TRIOXO-7-(3-OXOBUTYL)-2-PHENYL-4,7-ETHENOTHIOPYRANO-[3,4-C]-PYRROLE-1,3(2H,6H)-DIONE

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(3AS*,4R*,7R*,7AS*)-3A,4,7,7A-TETRAHYDRO-1,3,8-TRIOXO-7-(3-OXOBUTYL)-2-PHENYL-4,7-ETHENOTHIOPYRANO-[3,4-C]-PYRROLE-1,3(2H,6H)-DIONE
SpectraBase Compound ID KC7zzMv3xdy
InChI InChI=1S/C19H19NO4S/c1-11(21)7-8-19-10-25-13(9-14(19)22)15-16(19)18(24)20(17(15)23)12-5-3-2-4-6-12/h2-6,13,15-16H,7-10H2,1H3/t13-,15+,16-,19+/m0/s1
InChIKey KKHUNWFALLNFCF-NQUFMGSDSA-N
Mol Weight 357.42 g/mol
Molecular Formula C19H19NO4S
Exact Mass 357.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21dVqu7OMoE
Name (3AS*,4R*,7R*,7AS*)-3A,4,7,7A-TETRAHYDRO-1,3,8-TRIOXO-7-(3-OXOBUTYL)-2-PHENYL-4,7-ETHENOTHIOPYRANO-[3,4-C]-PYRROLE-1,3(2H,6H)-DIONE
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19NO4S
InChI InChI=1S/C19H19NO4S/c1-11(21)7-8-19-10-25-13(9-14(19)22)15-16(19)18(24)20(17(15)23)12-5-3-2-4-6-12/h2-6,13,15-16H,7-10H2,1H3/t13-,15+,16-,19+/m0/s1
InChIKey KKHUNWFALLNFCF-NQUFMGSDSA-N
Literature Reference Author D.E.WARD,Y.GAI
Literature Reference Citation CAN.J.CHEM.,75,681(1997)
Literature Reference DOI 10.1139/v97-082
Molecular Weight 357.424 g/mol
Solvent CDCl3
Source File Reference UWCP5016