Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C23H24O12
- Molecular weight
- 492.4 g/mol
- IUPAC name
- (1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[(4-hydroxy-3-methoxybenzoyl)oxy]cyclohexane-1-carboxylic acid
- SMILES
- COC1=C(C=CC(=C1)C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2OC(=O)C3=CC(=C(C=C3)O)OC)O)(C(=O)O)O)O
- InChIKey
- NNIPMYIDMKBMBF-ALIIGJLFSA-N
- XLogP
- 1.3
- Polar surface area
- 189 Ų
- H-bond donors
- 5
- H-bond acceptors
- 12
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 492.126776208
Show 4 more facts
- chemical formula
- C₂₃H₂₄O₁₂
- isomeric SMILES
- O=C(O[C@@H]2[C@H](O)C[C@](O)(C[C@H]2OC(=O)c1ccc(O)c(OC)c1)C(O)=O)c3ccc(O)c(OC)c3
- found in taxon
- Zanthoxylum zanthoxyloides
- canonical SMILES
- O=C(O)C1(O)CC(O)C(OC(=O)C2=CC=C(O)C(OC)=C2)C(OC(=O)C3=CC=C(O)C(OC)=C3)C1
Sources (2)
via Wikidata · CC0