(1,14-Diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate

Base Information

• Chemical Name: (1,14-Diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate
• CAS No.: 57685-46-8
• Molecular Formula: C38H42O14
• Molecular Weight: 722.7317
• Wikidata: Q105126792
• Mol file: 57685-46-8.mol

Synonyms:kansuinin B

Chemical Property of (1,14-Diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl) benzoate

Chemical Property:

• Vapor Pressure: 6.44E-26mmHg at 25°C
• Boiling Point: 784.4°C at 760 mmHg
• Flash Point: 236.6°C
• PSA: 212.56000
• Density: 1.39g/cm³
• LogP: 1.91150
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 722.25745601
• Heavy Atom Count: 52
• Complexity: 1460

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

KansuinineB ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(O2)C(C(=O)C(C(C(=C)C(C3C(C(C(C3(C1=O)OC(=O)C)O)(C)O)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O)(C)C