Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (2R,3S,4S,5R)-rel-(+)-
Basic information
- CAS
83377-13-3- Standard SMILES
COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC- InChIKey
JLJAVUZBHSLLJL-WRMVBYCNSA-N- Molecular formula
- C22H28O5
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.19367399
Overview
Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (2R,3S,4S,5R)-rel-(+)- has been reported in Saururus cernuus and Virola surinamensis with data available.
Names & identifiers
- Preferred name
- Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (2R,3S,4S,5R)-rel-(+)-
- IUPAC
- (2S,3R,4R,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane
- English name
- Saucernetin
- Molecular formula
- C22H28O5
- Molecular weight
- 372.45
Names & synonyms
Furan, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (2R,3S,4S,5R)-rel-(+)-SaucernetinFuran, 2,5-bis(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-, (2R,3S,4S,5R)-
Database identifiers
- CAS
83377-13-3- PubChem CID
- 158504
- Nikkaji
- J1.968.787B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Melting point
- 78 · 78-80 °C
- Boiling point
- 479.1 · 479.1±45.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Saucernetin is a lignan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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