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#17A;(2'S,5R,6R)-2'-[6-AMINO-5-HYDROXY-1,3-CYCLOHEXADIENE-1-CARBONYLOXY]-PROPIONIC-ACID-TRIFLUOROACETIC-ACID-SALT;ENT-ORYZOXYMYCIN-TRIFLUOROACETIC-ACID-SALT

View entire compound with spectra: 1 NMR

#17A;(2'S,5R,6R)-2'-[6-AMINO-5-HYDROXY-1,3-CYCLOHEXADIENE-1-CARBONYLOXY]-PROPIONIC-ACID-TRIFLUOROACETIC-ACID-SALT;ENT-ORYZOXYMYCIN-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID 8cHx7M4H1Pq
InChI InChI=1S/C10H13NO5.C2HF3O2/c1-5(9(13)14)16-10(15)6-3-2-4-7(12)8(6)11;3-2(4,5)1(6)7/h2-5,7-8,12H,11H2,1H3,(H,13,14);(H,6,7)/t5-,7-,8-;/m1./s1
InChIKey SMZGNNCNBQRZHD-QFEGHYPDSA-N
Mol Weight 341.24 g/mol
Molecular Formula C12H14F3NO7
Exact Mass 341.072236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EK7UlPXcrIa
Name #17A;(2'S,5R,6R)-2'-[6-AMINO-5-HYDROXY-1,3-CYCLOHEXADIENE-1-CARBONYLOXY]-PROPIONIC-ACID-TRIFLUOROACETIC-ACID-SALT;ENT-ORYZOXYMYCIN-TRIFLUOROACETIC-ACID-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14F3NO7
InChI InChI=1S/C10H13NO5.C2HF3O2/c1-5(9(13)14)16-10(15)6-3-2-4-7(12)8(6)11;3-2(4,5)1(6)7/h2-5,7-8,12H,11H2,1H3,(H,13,14);(H,6,7)/t5-,7-,8-;/m1./s1
InChIKey SMZGNNCNBQRZHD-QFEGHYPDSA-N
Literature Reference Author M.E.BUNNAGE,T.GANESH,I.B.MASESANE,D.ORTON,P.G.STEEL
Literature Reference Citation ORG.LETTERS,5,239(2003)
Literature Reference DOI 10.1021/ol0269704
Molecular Weight 341.241 g/mol
Sample ID 48024
Solvent D2O