Cholesteryl myristoleate
Basic information
- CAS
29193-93-9- Standard SMILES
CCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
LAMGDJMPDNVWTB-ZPQCIJQQSA-N- Molecular formula
- C41H70O2
- Average molar mass
- 595 g/mol
- Monoisotopic mass
- 594.53758147
Overview
Cholesteryl myristelaidate is a cholesterol ester obtained by the formal condensation of cholesterol with (9E)-tetradecenoic acid, the myristelaidic acid. It is functionally related to a (9E)-tetradecenoic acid.
Names & identifiers
- Preferred name
- Cholesteryl myristoleate
- 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] (E)-tetradec-9-enoate
- English name
- cholesteryl myristoleate
- Molecular formula
- C41H70O2
- Molecular weight
- 594.99
Names & synonyms
Cholesteryl myristoleate29193-93-9RefChem:125713Cholesteryl Myristelaidate[(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] (E)-tetradec-9-enoateCholest-5-en-3-ol (3beta)-, 9-tetradecenoateCHEBI:234203Cholest-5-En-3B-Yl (9E-Tetradecenoate)HY-166291Cholest-5-en-3-ol (3β)-, 9-tetradecenoate (9CI)
Database identifiers
- CAS
29193-93-9- PubChem CID
- 6450004
- ChEBI
CHEBI:234203- Nikkaji
- J3.034.692K
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 915
Physicochemical properties
- Boiling point
- 634.6 · 634.6±44.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- LogP
- 16.246 · 16.246 (est)
Chemistry & industry
Applications
UsesCholesteryl myristelaidate is an ester product.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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