Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCCCCO[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)cc1- InChIKey
XADPGWDVCOXNIL-PYEXXXARSA-N- Molecular formula
- C40H64O4S
- Average molar mass
- 641 g/mol
Names & identifiers
- Preferred name
- Cholest-5-en-3beta-yl 6-(p-toluenesulfonyloxy)hexyl ether
- IUPAC
- 6-[[(3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl]oxy]hexyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL9863450XADPGWDVCOXNIL-PYEXXXARSA-NCholest-5-en-3beta-yl 6-(p-toluenesulfonyloxy)hexyl ether
Database identifiers
- PubChem CID
- 13799772
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
5 records
Compound notes
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