3beta-Chloro-5alpha-stigmastan-6-one

Base Information

• Chemical Name: 3beta-Chloro-5alpha-stigmastan-6-one
• CAS No.: 101046-95-1
• Molecular Formula: C₂₉H₄₉ClO
• Molecular Weight: 449.16
• ChEMBL ID: CHEMBL2430832
• DSSTox Substance ID: DTXSID601303063

Synonyms:3beta-chloro-5alpha-stigmastan-6-one;CHEMBL2430832;DTXSID601303063;101046-95-1;(3beta,5alpha)-3-Chlorostigmastan-6-one

Chemical Property of 3beta-Chloro-5alpha-stigmastan-6-one

Chemical Property:

• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 448.3471939
• Heavy Atom Count: 31
• Complexity: 657

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)Cl)C)C)C(C)C
• Isomeric SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)Cl)C)C)C(C)C

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