Structure via PubChem · Public domain (PubChem)
cholesteryl chloride
Sign in to saveAlso known as 3-Chlorocholestene, 3-Chlorocholest-5-ene, Cholesterol chloride
chemical compound
Chemical data
- Formula
- C27H45Cl
- Molecular weight
- 405.1 g/mol
- IUPAC name
- (3S,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
- SMILES
- C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C
- InChIKey
- OTVRYZXVVMZHHW-DPAQBDIFSA-N
- XLogP
- 9.8
- Polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 404.321
Show 4 more facts
- chemical formula
- C₂₇H₄₅Cl
- canonical SMILES
- CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Cl)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=C4[C@@]3(CC[C@@H](C4)Cl)C)C
- melting point
- 97.0
Sources (2)
via Wikidata · CC0