methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate

Base Information

• Chemical Name: methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
• CAS No.: 60295-53-6
• Molecular Formula: C25H30O12
• Molecular Weight: 522.4985
• NSC Number: 294600
• ChEMBL ID: CHEMBL1965129
• Mol file: 60295-53-6.mol

Synonyms:NSC 294600;60295-53-6;NSC294600;CHEMBL1965129;NSC-294600;Oxireno[7,2-b]furan-3-carboxylic acid, 4-(acetyloxy)-5-[3-(acetyloxy)-2-hydroxy-2-methyl-1-oxobutoxy]-1a,4,5,5a,6,7,8a,10a-octahydro-10-methyl-6-methylene-7-oxo-, methyl ester, [1aR-[1aR*,2E,4S*,5S*(2R*,3S*),5aS*,8aR*,9E,10aS*]]-

Chemical Property of methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 648.6°Cat760mmHg
• Flash Point: 212.9°C
• Density: 1.35g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 522.17372639
• Heavy Atom Count: 37
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(C(C(C(=CC3C1O3)C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2
• Isomeric SMILES: C/C/1=C\C2C(C(C(/C(=C\C3C1O3)/C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2