9,10-Epoxy-heptadeca-1-en-4,6-diyn-3-ol
Basic information
- CAS
114718-63-7- Standard SMILES
C=CC(O)C#CC#CCC1OC1CCCCCCC- InChIKey
GVLDSGIQZAFIAN-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Overview
Panaxydol has been reported in Panax ginseng with data available.
Names & identifiers
- Preferred name
- 9,10-Epoxy-heptadeca-1-en-4,6-diyn-3-ol
- IUPAC
- 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol
Names & synonyms
(-)-Panaxydol114718-63-79,10-epoxy-heptadeca-1-en-4,6-diyn-3-ol8-(3-Heptyloxiran-2-yl)oct-1-ene-4,6-diyn-3-ol(3R,9R,10S)-9,10-Epoxy-1-heptadecene-4,6-diyn-3-olSCHEMBL22661311-Octene-4,6-diyn-3-ol, 8-[(2R,3S)-3-heptyl-2-oxiranyl]-, (3R)-1-Octene-4,6-diyn-3-ol, 8-[(2R,3S)-3-heptyloxiranyl]-, (3R)-GVLDSGIQZAFIAN-UHFFFAOYSA-NXCA80072LMFA050000289,10-Epoxy-1-heptadecene-4,6-diyn-3-ol
Show more names
8-(3-Heptyloxiranyl)-1-Octene-4,6-diyn-3-ol8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-ol, 9CI1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, [2R-[2.alpha.(R*),3.alpha.]]-
Database identifiers
- CAS
114718-63-7、72800-72-7- PubChem CID
- 5283280
- DTXSID
DTXSID10415267
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesBoiling point
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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