[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate

Base Information

• Chemical Name: [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate
• CAS No.: 53683-73-1
• Molecular Formula: C25H34O9
• Molecular Weight: 478.5321
• Mol file: 53683-73-1.mol

Synonyms:

Chemical Property of [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate

Chemical Property:

• Vapor Pressure: 5.94E-21mmHg at 25°C
• Boiling Point: 672.3°Cat760mmHg
• PKA: 11.63±0.70(Predicted)
• Flash Point: 226.2°C
• PSA: 139.59000
• Density: 1.38g/cm³
• LogP: 0.73400
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 478.22028266
• Heavy Atom Count: 34
• Complexity: 975

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C
• Isomeric SMILES: CCC(C)C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3(C4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C