Diacetylatractylodiol
Basic information
- CAS
55078-26-7- Standard SMILES
C/C=C/C#CC#C/C=C/CC(CCOC(C)=O)OC(C)=O- InChIKey
SKFGFFNYYMHHMG-PMXBNEBOSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Overview
[(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetate has been reported in Atractylodes macrocephala with data available.
Names & identifiers
- Preferred name
- Diacetylatractylodiol
- IUPAC
- [(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetate
Names & synonyms
Diacetylatractylodiol55078-26-75,11-Tridecadiene-7,9-diyne-1,3-diol, diacetateRefChem:919990[(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetateDiacetyl-atractylodiol
Database identifiers
- CAS
55078-26-7- PubChem CID
- 6443553
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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