Clerosterol 3-glucoside

Base Information

• Chemical Name: Clerosterol 3-glucoside
• CAS No.: 123621-00-1
• Molecular Formula: C35H58O6
• Molecular Weight: 574.8
• Metabolomics Workbench ID: 75634
• Wikidata: Q104996888
• Mol file: 123621-00-1.mol

Synonyms:Clerosterol 3-glucoside;Clerosterol glucoside;2-[[17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-{[14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;123621-00-1;CHEBI:176232;LMST01040254

Chemical Property of Clerosterol 3-glucoside

Chemical Property:

• PSA: 99.38000
• LogP: 5.76910
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 574.42333957
• Heavy Atom Count: 41
• Complexity: 964

Purity/Quality:

99% ^*data from raw suppliers

Clerosterolglucoside 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(=C)C