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1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane

1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane synonyms

1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane

Wikipedia:

Graphical representations:

1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane image

View large 3D structure

Molecular Formula: C24 H28 O10

Natural Isotopic Abundance Mass: 476.47312

Mono-Isotopic Molecular Masses:

  • C12N14: 476.1682471198
  • C13N14: 500.248763227
  • C12N15: 476.1682471198
  • C13N15: 500.248763227

InChI String: InChI=1S/C24H28O10/c1-14(25)31-13-22(34-19-10-8-7-9-18(19)28-4)23(32-15(2)26)17-11-20(29-5)24(33-16(3)27)21(12-17)30-6/h7-12,22-23H,13H2,1-6H3/t22-,23-/m0/s1

Canonical and Isomeric SMILES: CC(=O)OCC(C(C1=CC(=C(C(=C1)OC)OC(C)=O)OC)OC(C)=O)OC2=CC=CC=C2OC

Beilstein
1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 99
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773