2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-

Base Information

• Chemical Name: 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-
• CAS No.: 112516-06-0
• Molecular Formula: C24H38 O7
• Molecular Weight: 438.5543
• Mol file: 112516-06-0.mol

Synonyms:112516-06-0;2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-

Chemical Property of 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-

Chemical Property:

• Vapor Pressure: 4.11E-13mmHg at 25°C
• Boiling Point: 522.8°C at 760 mmHg
• Flash Point: 166°C
• Density: 1.15g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 438.26175355
• Heavy Atom Count: 31
• Complexity: 770

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(=O)C(CC(C2C1(CCC2(C(C)C)O)C)OC(=O)C(C)C)(C)O
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1C(=O)[C@](C[C@H]([C@H]2[C@]1(CC[C@]2(C(C)C)O)C)OC(=O)C(C)C)(C)O