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TRICHANTHIN-A;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(E)-4-[4-HYDROXY-3-(4-OXO-2-OXOLEN-2-YL)-2-BUTENYLOXY]-PHENETHYLAMIDE

View entire compound with spectra: 1 NMR

TRICHANTHIN-A;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(E)-4-[4-HYDROXY-3-(4-OXO-2-OXOLEN-2-YL)-2-BUTENYLOXY]-PHENETHYLAMIDE
SpectraBase Compound ID Kc2LdIhflDe
InChI InChI=1S/C22H27NO7S/c1-22(2)20(25)14-19(30-22)17(15-24)9-12-29-18-6-4-16(5-7-18)8-11-23-21(26)10-13-31(3,27)28/h4-7,9-10,13-14,24H,8,11-12,15H2,1-3H3,(H,23,26)/b13-10+,17-9+
InChIKey OXXSJUSPCNFQEY-OVZWPINUSA-N
Mol Weight 449.52 g/mol
Molecular Formula C22H27NO7S
Exact Mass 449.150823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Oe9oEAWoh6
Name TRICHANTHIN-A;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-(E)-4-[4-HYDROXY-3-(4-OXO-2-OXOLEN-2-YL)-2-BUTENYLOXY]-PHENETHYLAMIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO7S
InChI InChI=1S/C22H27NO7S/c1-22(2)20(25)14-19(30-22)17(15-24)9-12-29-18-6-4-16(5-7-18)8-11-23-21(26)10-13-31(3,27)28/h4-7,9-10,13-14,24H,8,11-12,15H2,1-3H3,(H,23,26)/b13-10+,17-9+
InChIKey OXXSJUSPCNFQEY-OVZWPINUSA-N
Literature Reference Author S.VAJRODAYA,M.BACHER,H.GREGER,O.HOFER
Literature Reference Citation PHYTOCHEM.,48,897(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00986-2
Molecular Weight 449.519 g/mol
Solvent CDCl3
Source File Reference UWMS1268