(1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-acetyloxy-2,4a,7,7,10a,12a-hexamethyl-2-(3-methylbutan-2-yl)-3-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,5,6,6a,8,9,10,11,12-decahydrochrysene-1-carboxylic acid

Base Information

• Chemical Name: (1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-acetyloxy-2,4a,7,7,10a,12a-hexamethyl-2-(3-methylbutan-2-yl)-3-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,5,6,6a,8,9,10,11,12-decahydrochrysene-1-carboxylic acid
• CAS No.: 127475-47-2
• Molecular Formula: C38H60 O11
• Molecular Weight: 692.8764
• DSSTox Substance ID: DTXSID10925896
• Mol file: 127475-47-2.mol

Synonyms:9-acetoxy-2-(1,2-dimethylpropyl)-8-((beta-D-glucopyranosyl)oxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-2,4a,7,7,10a,12a-hexamethyl-3-oxochrysene-1-carboxylic acid;WF 11605;WF-11605;WF11605

Chemical Property of (1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-acetyloxy-2,4a,7,7,10a,12a-hexamethyl-2-(3-methylbutan-2-yl)-3-oxo-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,5,6,6a,8,9,10,11,12-decahydrochrysene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 8.09E-28mmHg at 25°C
• Boiling Point: 776.1°C at 760 mmHg
• Flash Point: 230.3°C
• Density: 1.26g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 692.41356273
• Heavy Atom Count: 49
• Complexity: 1370

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C1(C(C2(CCC3=C(C2(CC1=O)C)CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)OC(=O)C)C)C)C(=O)O)C
• Isomeric SMILES: CC(C)C(C)[C@@]1([C@@H]([C@@]2(CCC3=C([C@]2(CC1=O)C)CC[C@@H]4[C@@]3(C[C@H]([C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)C)C)C)C(=O)O)C

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