Basic information
- CAS
76081-97-5- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCc5ccc6ccc7cccc8ccc5c6c78)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
XYRDCRBGCDIMBH-ZMFSBRCCSA-N- Molecular formula
- C47H60O2
- Average molar mass
- 657 g/mol
- Monoisotopic mass
- 656.45933115
Overview
fluorescent probe
Names & identifiers
- Preferred name
- Cholesteryl 4-(3'-pyrenyl)butanoate
- 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] 4-pyren-1-ylbutanoate
- English name
- [(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] 4-pyren-1-ylbutanoate
- Molecular formula
- C47H60O2
- Molecular weight
- 0
Names & synonyms
Cholesteryl 4-(3'-pyrenyl)butanoate76081-97-5Cholest-5-en-3-ol (3beta)-, 1-pyrenebutanoateRefChem:125695[(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] 4-pyren-1-ylbutanoateSCHEMBL3860407DTXSID30997414Cholest-5-en-3-yl 4-(pyren-1-yl)butanoateCholest-5-en-3beta-yl 4-(pyren-1-yl)butanoate
Database identifiers
- CAS
76081-97-5- PubChem CID
- 192055
- DTXSID
DTXSID30997414- Nikkaji
- J1.890.483G
Properties
Computed structural properties
- XLogP
- 14.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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