[(1S,2S,5S,7S,9R,11R,12S,15R,16R)-2-formyl-12-hydroxy-16-methyl-15-(5-oxo-2H-furan-3-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

Base Information

• Chemical Name: [(1S,2S,5S,7S,9R,11R,12S,15R,16R)-2-formyl-12-hydroxy-16-methyl-15-(5-oxo-2H-furan-3-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
• CAS No.: 15571-11-6
• Molecular Formula: C25H32O7
• Molecular Weight: 444.5
• NSC Number: 93374
• Mol file: 15571-11-6.mol

Synonyms:NSC93374;NSC-93374;15571-11-6

Chemical Property of [(1S,2S,5S,7S,9R,11R,12S,15R,16R)-2-formyl-12-hydroxy-16-methyl-15-(5-oxo-2H-furan-3-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

Chemical Property:

• Vapor Pressure: 6.6E-18mmHg at 25°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 444.21480336
• Heavy Atom Count: 32
• Complexity: 927

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CC5C2(C1)O5)O)C6=CC(=O)OC6)C)C=O
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3C[C@@H]5[C@@]2(C1)O5)O)C6=CC(=O)OC6)C)C=O