3-Acetylpanaxydol
Basic information
- CAS
121820-32-4- Standard SMILES
C=CC(C#CC#CCC1OC1CCCCCCC)OC(C)=O- InChIKey
TZXIQFAHBPZOMM-UHFFFAOYSA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.18819469
Overview
Acetylpanaxydol is a carboxylic ester.
Names & identifiers
- Preferred name
- 3-Acetylpanaxydol
- IUPAC
- 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
Names & synonyms
3-AcetylpanaxydolRefChem:92827Acetylpanaxydol121820-32-48-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, acetateDTXSID709239748-(3-heptyloxiran-2-yl)oct-1-ene-4,6-diyn-3-yl acetateCHEBI:191726
Database identifiers
- CAS
121820-32-4- PubChem CID
- 129509
- DTXSID
DTXSID70923974- ChEBI
CHEBI:191726
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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