Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-
Basic information
- CAS
36043-80-8- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
MZPORZAJWGKMGX-AYPRRHFASA-N- Molecular formula
- C28H47ClO2
- Average molar mass
- 451.1 g/mol
- Monoisotopic mass
- 450.3264584
Names & identifiers
- Preferred name
- Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-
- IUPAC
- [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate
Names & synonyms
Cholestan-3-ol, carbonochloridate, (3beta,5alpha)-Cholestan-3-ol, 3-carbonochloridate, (3beta,5alpha)-36043-80-8RefChem:125677Cholestan-3-ol, 3-carbonochloridate, (3.beta.,5.alpha.)-MZPORZAJWGKMGX-AYPRRHFASA-N
Database identifiers
- CAS
36043-80-8- PubChem CID
- 118271
- Nikkaji
- J422.351I
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 647
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholestan-3-ol, 3-carbonochloridate, (3.beta.,5.alpha.)-: INACTIVE
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Related reactions
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Compound notes
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