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(+/-)-TRANS-1-HYDROXY-2-CHLOROACETOXY-1,2-DIHYDROACRONYCINE
SpectraBase Compound ID 4WQyALqbNSH
InChI InChI=1S/C22H22ClNO6/c1-22(2)21(29-15(25)10-23)20(27)17-14(30-22)9-13(28-4)16-18(17)24(3)12-8-6-5-7-11(12)19(16)26/h5-9,20-21,27H,10H2,1-4H3/t20-,21+/m0/s1
InChIKey SDZYGNLQHKLDKQ-LEWJYISDSA-N
Mol Weight 431.87 g/mol
Molecular Formula C22H22ClNO6
Exact Mass 431.113565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNNdiBQDyAA
Name (+/-)-TRANS-1-HYDROXY-2-CHLOROACETOXY-1,2-DIHYDROACRONYCINE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClNO6
InChI InChI=1S/C22H22ClNO6/c1-22(2)21(29-15(25)10-23)20(27)17-14(30-22)9-13(28-4)16-18(17)24(3)12-8-6-5-7-11(12)19(16)26/h5-9,20-21,27H,10H2,1-4H3/t20-,21+/m0/s1
InChIKey SDZYGNLQHKLDKQ-LEWJYISDSA-N
Literature Reference Author P.MAGIATIS,S.MITAKU,A.L.SKALTSOUNIS,F.TILLEQUIN,M.KOCH,A.PIE RRE,G.ATASSI
Literature Reference Citation J.NAT.PROD.,61,198(1998)
Literature Reference DOI 10.1021/np970427s
Molecular Weight 431.873 g/mol
Solvent CDCl3
Source File Reference UWCP223