26-Deoxyactein

Base Information

• Chemical Name: 26-Deoxyactein
• CAS No.: 264624-38-6
• Molecular Formula: C37H56 O10
• Molecular Weight: 660.83
• European Community (EC) Number: 607-941-1
• UNII: 2D5AUV13AX
• DSSTox Substance ID: DTXSID20181062
• Wikidata: Q27138580
• Mol file: 264624-38-6.mol

Synonyms:26-deoxy-actein;26-deoxyactein;27-deoxyactein

Chemical Property of 26-Deoxyactein

Chemical Property:

• Melting Point: 253～254℃
• PKA: 13.03±0.70(Predicted)
• PSA: 136.44000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 3.71020
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Very Slightly), Pyridine (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 660.38734798
• Heavy Atom Count: 47
• Complexity: 1360

Purity/Quality:

≥98% ^*data from raw suppliers

27-Deoxyactein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C
• Isomeric SMILES: C[C@@H]1C[C@@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
• Description: 23-epi-26-Deoxyactein is a triterpene glycoside and a major constituent of black cohosh (C. racemosa). It reduces intracellular calcium concentrations, collapse of the mitochondrial membrane potential, production of reactive oxygen species (ROS), and cardiolipin peroxidation and inhibits autophagy and apoptosis in osteoblastic MC3T3-E1 cells induced by 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). 23-epi-26-Deoxyactein (0.01-10 μM) reduces production of ROS and IL-1β and cell death induced by methylglyoxal in RIN-m5F β-cells.
• Uses: 27-Deoxyactein has shown stimulation of osteoblast function and inhibits bone resorbing mediators in the treatment of osteoporosis. It is a derivative of Actein (A191800), a gamma secretase modulators derived from botanicals.