alisol B 23-acetate

Base Information

• Chemical Name: alisol B 23-acetate
• CAS No.: 26575-95-1
• Molecular Formula: C32H50O5
• Molecular Weight: 514.74
• Hs Code.: 29153900
• European Community (EC) Number: 683-170-4
• UNII: 72Y3NE3ZV8
• ChEMBL ID: CHEMBL4535717
• Metabolomics Workbench ID: 126752
• Nikkaji Number: J38.460G
• Wikidata: Q63398016
• Mol file: 26575-95-1.mol

Synonyms:23-acetylalisol B;alisol B 23-acetate

Chemical Property of alisol B 23-acetate

Chemical Property:

• Melting Point: 162～163℃
• Refractive Index: 1.542
• Boiling Point: 590.7 °C at 760 mmHg
• PKA: 14.74±0.70(Predicted)
• Flash Point: 179.9 °C
• PSA: 110.19000
• Density: 1.12 g/cm³
• LogP: 3.96020
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 514.36582469
• Heavy Atom Count: 37
• Complexity: 1020

Purity/Quality:

98%,99%, ^*data from raw suppliers

Alisol B,23-acetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C1C(O1)(C)C)OC(=O)C)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)O
• Isomeric SMILES: C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
• Uses: Alisol B 23-Acetate is effective in reversing the multi-drug resistance of specific over-expressing P-glycoprotein cancer cells. An herbal triterpene extract that is useful in the treatment of cancers, primarily prostate cancer.