Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C20H22O10
- Molecular weight
- 422.4 g/mol
- IUPAC name
- (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid
- SMILES
- COC1=CC(=CC(=C1O)O)[C@H]2C3=CC(=C(C=C3C[C@]([C@@]2(C(=O)O)O)(CO)O)OC)O
- InChIKey
- PGFBYAIGHPJFFJ-PWIZWCRZSA-N
- XLogP
- 0.9
- Polar surface area
- 177 Ų
- H-bond donors
- 7
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 422.121
Show 4 more facts
- found in taxon
- Thuja plicata
- chemical formula
- C₂₀H₂₂O₁₀
- isomeric SMILES
- COC1=CC(=CC(=C1O)O)[C@H]2C3=CC(=C(C=C3C[C@]([C@@]2(C(=O)O)O)(CO)O)OC)O
- canonical SMILES
- COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3CC(C2(C(=O)O)O)(CO)O)OC)O
Sources (2)
via Wikidata · CC0