(3beta)-3-(Acetyloxy)-21-oxolup-18-en-28-oic acid

Base Information

• Chemical Name: (3beta)-3-(Acetyloxy)-21-oxolup-18-en-28-oic acid
• CAS No.: 374901-99-2
• Molecular Formula: C₃₂H₄₈O₅
• Molecular Weight: 512.73
• European Community (EC) Number: 609-438-2
• ChEMBL ID: CHEMBL359095
• DSSTox Substance ID: DTXSID801247580

Synonyms:374901-99-2;CHEMBL359095;SCHEMBL1484350;(3beta)-3-(Acetyloxy)-21-oxolup-18-en-28-oic acid;DTXSID801247580

Chemical Property of (3beta)-3-(Acetyloxy)-21-oxolup-18-en-28-oic acid

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 512.35017463
• Heavy Atom Count: 37
• Complexity: 1070

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Useful:

• Canonical SMILES: CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)C(=O)O)C)C)(C)C)OC(=O)C)C
• Isomeric SMILES: CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)C(=O)O)C)C)(C)C)OC(=O)C)C

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