Regaloside B

Base Information

• Chemical Name: Regaloside B
• CAS No.: 114420-67-6
• Molecular Formula: C20H26 O11
• Molecular Weight: 442.4138
• NSC Number: 627041
• DSSTox Substance ID: DTXSID20420049
• Wikidata: Q82231306
• Mol file: 114420-67-6.mol

Synonyms:Regaloside B;114420-67-6;NSC627041;[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate;DTXSID20420049;NSC-627041;D85206

Chemical Property of Regaloside B

Chemical Property:

• Vapor Pressure: 3.23E-22mmHg at 25°C
• Boiling Point: 727.5°Cat760mmHg
• PKA: 8.58±0.15(Predicted)
• Flash Point: 253.8°C
• PSA: 172.21000
• Density: 1.46g/cm³
• LogP: -1.30320
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 442.14751164
• Heavy Atom Count: 31
• Complexity: 602

Purity/Quality:

99% ^*data from raw suppliers

RegalosideB ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(COC(=O)C=CC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: CC(=O)OC[C@@H](COC(=O)/C=C/C1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
• Description: Brusatol is a natural quassinoid that shows a potential therapeutic use in cancer models by the inhibition of Nuclear factor erythroid 2-related factor 2 (Nrf2) and is capable of inducing a variety of biological effects. The effects of Brusatol on oocyte meiosis has not been addressed.
• Uses: Clinically, the research shows brusatol enhances the efficacy of chemotherapy by inhibiting the Nrf2-mediated defense mechanism, and it provokes a rapid and transient inhibition of Nrf2 signaling and sensitizes mammalian cells to chemical toxicity. Brusatol overcomes chemoresistance through inhibition of protein translation.