2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester

Base Information

• Chemical Name: 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester
• CAS No.: 81127-21-1
• Molecular Formula: C₃₂H₄₆O₁₂
• Molecular Weight: 622.71
• Mol file: 81127-21-1.mol

Synonyms:2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester;81127-21-1

Chemical Property of 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester

Chemical Property:

• Vapor Pressure: 1.45E-20mmHg at 25°C
• Boiling Point: 665.8°C at 760 mmHg
• Flash Point: 201°C
• Density: 1.25g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 622.29892690
• Heavy Atom Count: 44
• Complexity: 1270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1CC(C2C(C(C(=C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)C(=CC)C)OC(=O)CC(C)C)(C)OC(=O)C
• Isomeric SMILES: CCC(C)C(=O)OC1CC(C2C(C(C(=C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)/C(=C/C)/C)OC(=O)CC(C)C)(C)OC(=O)C