2-Bromocholestan-3-onato
Basic information
- CAS
2042-08-2- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)C(Br)CC4(C)C3CCC12C- InChIKey
DHZKAQAKUFROMZ-UHFFFAOYSA-N- Molecular formula
- C27H45BrO
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 464.26537816
Names & identifiers
- Preferred name
- 2-Bromocholestan-3-onato
- IUPAC
- 2-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
2042-08-22-Bromocholestan-3-one2-Bromocholestan-3-onatoNSC60791DTXSID80942590NSC-60791
Database identifiers
- CAS
2042-08-2- PubChem CID
- 247018
- DTXSID
DTXSID80942590
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 614
Related reactions
1 records
Compound notes
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