[6-[[6-(1,8-Dihydroxy-6-methoxy-9-oxoxanthen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Base Information

• Chemical Name: [6-[[6-(1,8-Dihydroxy-6-methoxy-9-oxoxanthen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate
• CAS No.: 61252-90-2
• Molecular Formula: C28H32O16
• Molecular Weight: 624.5441
• NSC Number: 289488
• DSSTox Substance ID: DTXSID20418527
• Mol file: 61252-90-2.mol

Synonyms:61252-90-2;Gentiabavarutinoside;NSC289488;GENTIABARARUTINOSIDE;DTXSID20418527;NSC-289488;[6-[[6-(1,8-dihydroxy-6-methoxy-9-oxoxanthen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Chemical Property of [6-[[6-(1,8-Dihydroxy-6-methoxy-9-oxoxanthen-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 909.4°Cat760mmHg
• Flash Point: 298.3°C
• Density: 1.67g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 624.16903493
• Heavy Atom Count: 44
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C4=C(C=C3)OC5=CC(=CC(=C5C4=O)O)OC)O)O)O)O)O)O)OC(=O)C