# Methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate

CAS: 51274-37-4
PubChem CID: 167312572
InChIKey: GDKAZGCNMAWRDW-UHFFFAOYSA-N
Molecular formula: C₄H₄O₅
Molar mass: 1793.6 g/mol
IUPAC: methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate
SMILES: CC(=O)OC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)O)C(=O)OC)OC(=O)C.CC(=O)OC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC(=O)C)C(=O)OC)OC(=O)C.COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC.COC(=O)C=CC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O
InChI: InChI=1S/C26H22O11.C24H22O10.C23H22O8.C20H18O8/c1-13(27)34-19-8-7-17(12-20(19)35-14(2)28)24-23(26(31)33-5)18-10-16(6-9-22(30)32-4)11-21(25(18)37-24)36-15(3)29;1-12(25)32-18-7-6-15(11-19(18)33-13(2)26)22-21(24(29)31-4)16-9-14(5-8-20(28)30-3)10-17(27)23(16)34-22;1-26-16-8-7-14(12-17(16)27-2)21-20(23(25)30-5)15-10-13(6-9-19(24)29-4)11-18(28-3)22(15)31-21;1-26-16(24)6-3-10-7-12-17(20(25)27-2)18(28-19(12)15(23)8-10)11-4-5-13(21)14(22)9-11/h6-12H,1-5H3;5-11,21-22,27H,1-4H3;6-12H,1-5H3;3-9,17-18,21-23H,1-2H3
PSA: 495 A^2
Hydrogen bond donors: 4
Hydrogen bond acceptors: 37
Rotatable bonds: 37
Heavy atoms: 130
3D structure: 214 atoms, 222 bonds

## About the compound

Methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate is a chemical compound registered under CAS number 51274-37-4. Molecular formula: C₄H₄O₅. Molar mass: 1793.6 g/mol. The full systematic IUPAC name is: methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate;methyl 2-(3,4-diacetyloxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)-2,3-dihydro-1-benzofuran-3-carboxylate;methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-enyl)-1-benzofuran-3-carboxylate. The molecule contains 214 atoms connected by 222 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/51274-37-4/


## Synonyms

  - 51274-37-4

MODEL VIEWS
- ball-and-stick model (flat projection): https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-ball-and-stick-model-flat-projection-v1.png
- skeletal model (flat projection): https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-skeletal-model-flat-projection-v1.png
- space-filling model (flat projection): https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-space-filling-model-flat-projection-v1.png
- 2D structure: https://molgod.org/wp-content/uploads/mol-god/viewer/51274-37-4/methyl-7-acetyloxy-2-3-4-diacetyloxyphenyl-5-3-methoxy-3-oxoprop-1-enyl-1-cas-51274-37-4-2d-structure-v1.png
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## Data sources

  - PubChem CID 167312572: https://pubchem.ncbi.nlm.nih.gov/compound/167312572
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=51274-37-4
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=51274-37-4

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