2alpha-Hydroxy-3beta-acetyloxy-betulic acid

Base Information

• Chemical Name: 2alpha-Hydroxy-3beta-acetyloxy-betulic acid
• CAS No.: 1163728-89-9
• Molecular Formula: C32H50O5
• Molecular Weight: 514.7
• Mol file: 1163728-89-9.mol

Synonyms:2alpha-hydroxy-3beta-acetyloxy-betulic acid;1163728-89-9;SCHEMBL9980813;AKOS040736241;FS-7499

Chemical Property of 2alpha-Hydroxy-3beta-acetyloxy-betulic acid

Chemical Property:

• PKA: 4.59±0.70(Predicted)
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 514.36582469
• Heavy Atom Count: 37
• Complexity: 1000

Purity/Quality:

≥98% ^*data from raw suppliers

2alpha-hydroxy-3beta-acetyloxy-betulicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)OC(=O)C)O)C)C)C(=O)O
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)OC(=O)C)O)C)C)C(=O)O

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