Basic information
- CAS
41083-97-0- Standard SMILES
C=C(CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
SCDYIGOIIPVCJC-PKGHVVLQSA-N- Molecular formula
- C27H42O
- Average molar mass
- 382.6 g/mol
Names & identifiers
- Preferred name
- Cholesta-5,20,24-trien-3-ol, (3beta)-
- IUPAC
- (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- Cholesta-5,20,24-trien-3β-ol
- Molecular formula
- C27H42O
- Molecular weight
- 382.63
Names & synonyms
Cholesta-5,20,24-trien-3-ol, (3.beta.)-SCHEMBL13735644SCDYIGOIIPVCJC-PKGHVVLQSA-Ncholest-5,20,24-trien-3?-olCholesta-5,20,24-trien-3-ol #Cholesta-5,20,24-trien-3.beta.-olCholesta-5,20,24-trien-3β-olCholesta-5,20,24-trien-3-ol, (3β)-
Database identifiers
- CAS
41083-97-0- Nikkaji
- J143.541H
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Boiling point
- 487.3 · 487.3±44.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 15.03 · 15.03±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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