Chlorohydrin B

Base Information

• Chemical Name: Chlorohydrin B
• CAS No.: 15571-09-2
• Molecular Formula: C25H33 Cl O7
• Molecular Weight: 480.9783
• NSC Number: 93070
• DSSTox Substance ID: DTXSID10935273
• Mol file: 15571-09-2.mol

Synonyms:15571-09-2;Chlorohydrin B;NSC93070;DTXSID10935273;NSC-93070;3-(Acetyloxy)-5-chloro-14,19-dihydroxy-6,19-epoxycard-20(22)-enolide

Chemical Property of Chlorohydrin B

Chemical Property:

• Vapor Pressure: 1.51E-20mmHg at 25°C
• Boiling Point: 665.5°Cat760mmHg
• Flash Point: 356.3°C
• Density: 1.4g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 480.1914811
• Heavy Atom Count: 33
• Complexity: 936

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC23C4CCC5(C(CCC5(C4CC(C2(C1)Cl)OC3O)O)C6=CC(=O)OC6)C
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@]23[C@H]4CC[C@@]5([C@H](CC[C@]5([C@@H]4C[C@H]([C@]2(C1)Cl)OC3O)O)C6=CC(=O)OC6)C