(2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-2-Hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Base Information

• Chemical Name: (2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-2-Hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS No.: 159121-99-0
• Molecular Formula: C36H58 O9
• Molecular Weight: 634.84
• DSSTox Substance ID: DTXSID40936056
• Wikidata: Q82912193
• Mol file: 159121-99-0.mol

Synonyms:13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl-D-glucopyranoside;clinoposaponin IX

Chemical Property of (2R,3R,4S,5S,6R)-2-[[(2R,4S,5R,13S,18S)-2-Hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Property:

• Vapor Pressure: 2.02E-26mmHg at 25°C
• Boiling Point: 756.6°Cat760mmHg
• Flash Point: 411.3°C
• PSA: 149.07000
• Density: 1.3g/cm³
• LogP: 2.92510
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 634.40808342
• Heavy Atom Count: 45
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC23COC4(C2C1)C=CC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)CO)OC7C(C(C(C(O7)CO)O)O)O)C)C
• Isomeric SMILES: C[C@]12CCC(C(C1CC[C@@]3(C2C=CC45[C@]3(C[C@H](C6([C@@H]4CC(CC6)(C)C)CO5)O)C)C)(C)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O