Butanoic acid, 2-methyl-3-oxo-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester

Base Information

• Chemical Name: Butanoic acid, 2-methyl-3-oxo-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester
• CAS No.: 96497-73-3
• Molecular Formula: C24H34 O6
• Molecular Weight: 418.52
• DSSTox Substance ID: DTXSID40914490
• Nikkaji Number: J134.036K
• Wikidata: Q82885277
• Mol file: 96497-73-3.mol

Synonyms:monacolin X

Chemical Property of Butanoic acid, 2-methyl-3-oxo-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester

Chemical Property:

• Vapor Pressure: 2.51E-16mmHg at 25°C
• Boiling Point: 589°Cat760mmHg
• PKA: 11.65±0.46(Predicted)
• Flash Point: 196.9°C
• PSA: 89.90000
• Density: 1.17g/cm³
• LogP: 3.37450
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 418.23553880
• Heavy Atom Count: 30
• Complexity: 738

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)C(C)C(=O)C