Basic information
- Standard SMILES
C[C@@]1(CCC=C(CO)CO)[C@H]2CC[C@]1(C)[C@H](O)C2- InChIKey
LXJAYIDTHSGGSL-GBJTYRQASA-N- Molecular formula
- C15H26O3
- Average molar mass
- 254.36 g/mol
- Monoisotopic mass
- 254.18819469
Overview
glycerol 1,3-bisoleate has been reported in Santalum album with data available.
Names & identifiers
- Preferred name
- 2-[3-[(1S,2R,4S,7R)-2-hydroxy-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]propylidene]propane-1,3-diol
- IUPAC
- 2-[3-[(1S,2R,4S,7R)-2-hydroxy-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]propylidene]propane-1,3-diol
Database identifiers
- Nikkaji
- J2.115.145I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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