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Basic information
- CAS
89210-68-4- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C(NCCCC(=O)O)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C- InChIKey
XKAKGVWSPKWVGH-RLXQBPMMSA-N- Molecular formula
- C31H53NO3
- Average molar mass
- 487.769 g/mol
- Monoisotopic mass
- 487.40254456
Names & identifiers
- Preferred name
- 4-[(3-Hydroxycholest-5-en-4-yl)amino]butanoic acid
- IUPAC
- 4-{[(8xi,9xi,14xi,17R)-3beta-Hydroxycholest-5-en-4-yl]amino}butanoic acid
- English name
- cholesteryl gamma-aminobutyrate
- Molecular formula
- C31H53NO2
- Molecular weight
- 471.76
Names & synonyms
cholesteryl gamma-aminobutyrate
Database identifiers
- CAS
89210-68-4- PubChem CID
- 145997
- DTXSID
DTXSID401008710
Properties
Physicochemical properties
- Boiling point
- 552.55 · 552.550±43.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.015 · 1.015±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.628 · 9.628±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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