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3,27-DIACETOXY-CYLICODISCIC-ACID
SpectraBase Compound ID AzziHbnq7qL
InChI InChI=1S/C34H52O6/c1-20(2)23-11-16-33(29(37)38)17-18-34(19-39-21(3)35)24(28(23)33)9-10-26-31(7)14-13-27(40-22(4)36)30(5,6)25(31)12-15-32(26,34)8/h23-28H,1,9-19H2,2-8H3,(H,37,38)/t23-,24?,25?,26?,27-,28?,31-,32+,33-,34-/m0/s1
InChIKey HBVHZDOESWISGX-CZPIIZJZSA-N
Mol Weight 556.8 g/mol
Molecular Formula C34H52O6
Exact Mass 556.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xvPvvpBeIl
Name 3,27-DIACETOXY-CYLICODISCIC-ACID
Compound Number 12AC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H52O6
InChI InChI=1S/C34H52O6/c1-20(2)23-11-16-33(29(37)38)17-18-34(19-39-21(3)35)24(28(23)33)9-10-26-31(7)14-13-27(40-22(4)36)30(5,6)25(31)12-15-32(26,34)8/h23-28H,1,9-19H2,2-8H3,(H,37,38)/t23-,24?,25?,26?,27-,28?,31-,32+,33-,34-/m0/s1
InChIKey HBVHZDOESWISGX-CZPIIZJZSA-N
Literature Reference Author D.A.G.CORTEZ,M.C.M.YOUNG,A.MARSTON,J.L.WOLFENDER,K.HOSTETTMA NN
Literature Reference Citation PHYTOCHEM.,47,1367(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00731-0
Molecular Weight 556.783 g/mol
Solvent CDCl3
Source File Reference UWMS758