Basic information
- CAS
3381-54-2- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(C)(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
YTROJFDFIWPAAS-PXBBAZSNSA-N- Molecular formula
- C28H48O3S
- Average molar mass
- 464.7 g/mol
Names & identifiers
- Preferred name
- Cholest-5-en-3-ol (3beta)-, 3-methanesulfonate
- IUPAC
- [(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] methanesulfonate
Names & synonyms
NSC 65675Cholest-5-en-3-ol (3beta)-, methanesulfonateCholest-5-en-3-ol (3beta)-, 3-methanesulfonateRefChem:576042Cholest-5-en-3-ol (3.beta.)-, 3-methanesulfonateCholesterol, methanesulfonate3381-54-2Cholest-5-en-3-ol (3.beta.)-, methanesulfonatecholesterol mesylateSCHEMBL1881624NSC65675NSC-65675
Show more names
3beta-Cholest-5-en-3-yl methanesulfonate
Database identifiers
- CAS
3381-54-2- PubChem CID
- 102403
- Nikkaji
- J421.676H
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 809
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCholest-5-en-3-ol (3.beta.)-, 3-methanesulfonate: INACTIVE
Related reactions
8 records
Compound notes
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