1-Acetoxy-2-hydroxy-16-heptadecen-4-one
PubChem CID: 56968446
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| Compound Synonyms | 1-Acetoxy-2-hydroxy-16-heptadecen-4-one, Avocadenone acetate, 25346-18-3, (2-hydroxy-4-oxoheptadec-16-enyl) acetate, 2-hydroxy-4-oxoheptadec-16-en-1-yl acetate, SCHEMBL1164200, CHEBI:169753, MSSXBCMVFDVFJB-UHFFFAOYSA-N, DTXSID601315539, ABA34618, LMFA05000594, 1-acetoxy-2-hydroxy-4-keto-n-heptadeca-16-en |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of avocado (Persea americana). 1-Acetoxy-2-hydroxy-16-heptadecen-4-one is found in pomes and avocado. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-hydroxy-4-oxoheptadec-16-enyl) acetate |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 4.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty alcohols |
| Molecular Formula | C19H34O4 |
| Inchi Key | MSSXBCMVFDVFJB-UHFFFAOYSA-N |
| Rotatable Bond Count | 17.0 |
| State | Solid |
| Compound Name | 1-Acetoxy-2-hydroxy-16-heptadecen-4-one |
| Kingdom | Organic compounds |
| Exact Mass | 326.246 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 326.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h3,19,22H,1,4-16H2,2H3 |
| Smiles | CC(=O)OCC(CC(=O)CCCCCCCCCCCC=C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all