3-(Acetyloxy)cholestan-6-one

Base Information

• Chemical Name: 3-(Acetyloxy)cholestan-6-one
• CAS No.: 62075-30-3
• Molecular Formula: C29H48O3
• DSSTox Substance ID: DTXSID801308976

Synonyms:3-(Acetyloxy)cholestan-6-one;SCHEMBL7990437;DTXSID801308976;62075-30-3

Chemical Property of 3-(Acetyloxy)cholestan-6-one

Chemical Property:

• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 444.36034539
• Heavy Atom Count: 32
• Complexity: 713

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MSDS Files:

Useful:

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

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