maackiain acetate(2035-16-7) ¹H NMR

CAS 2035-16-7

Molecular FormulaC18H14O6

Molecular Weight326.3

InChIInChI=1S/C18H14O6/c1-9(19)23-10-2-3-11-14(4-10)20-7-13-12-5-16-17(22-8-21-16)6-15(12)24-18(11)13/h2-6,13,18H,7-8H2,1H3/t13-,18-/m0/s1

InChIKey WZECBNBWQFRXNF-UGSOOPFHSA-N

SmilesO1C2=C([H])C3=C(C([H])=C2[C@]2([H])C([H])([H])OC4C([H])=C(C([H])=C([H])C=4[C@]12[H])OC(C([H])([H])[H])=O)OC([H])([H])O3

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¹HNMR

IR1

    Parameter     ppm  Hz

      D(A)         7.48
      D(B)         6.76
      D(C)         6.69
       J(A,B)          8.4
       J(A,C)          0.3
       J(B,C)          2.3
     
      D(D)         2.25
     
      D(E)         6.67
      D(F)         6.40
       J(E,F)          0.3
     
      D(G)         5.87
       J(G,G')         1.3
     
      D(H)         5.465
      D(I)         4.221
      D(J)         3.623
      D(K)         3.470
       J(H,I)          0.5
       J(H,J)         -0.7
       J(H,K)          7.4
       J(I,J)        -11.1
       J(I,K)          5.2
       J(J,K)         10.7
     
     PACHLER,K.G.R. & UNDERWOOD,W.G.E. TETRAHEDRON 23, 1817 (1967)
     J(A,C)<0.3HZ. J(E,F)<0.3HZ.

Spectral Code: 1H NMR : parameter in CDCl3

Spectral Code: IR : KBr disc

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maackiain acetate(2035-16-7) 1H NMR

maackiain acetate(2035-16-7) ¹H NMR