3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester

3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester bmse010245 - Data

3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester synonyms

3-(4-Acetoxy-3-methoxyphenyl)acrylic acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl ester

Graphical representations:

View large 3D structure

Molecular Formula: C33 H34 O12

Natural Isotopic Abundance Mass: 622.61586

Mono-Isotopic Molecular Masses:

C12N14: 622.2050265566
C13N14: 655.315736204
C12N15: 622.2050265566
C13N15: 655.315736204

InChI String: InChI=1/C33H34O12/c1-20(34)41-19-31(44-26-10-8-7-9-25(26)38-4)33(43-22(3)36)24-13-15-28(30(18-24)40-6)45-32(37)16-12-23-11-14-27(42-21(2)35)29(17-23)39-5/h7-18,31,33H,19H2,1-6H3/b16-12+

Canonical and Isomeric SMILES: CC(=O)OCC(C(C1=CC(=C(C=C1)OC(C=CC2=CC(=C(C=C2)OC(C)=O)OC)=O)OC)OC(C)=O)OC3=CC=CC=C3OC

Beilstein
3-(4-Acetoxy-3-methoxyphenyl)acrylic acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl ester

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 84
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