Basic information
- Standard SMILES
COc1cc(/C=C2\C(=O)OC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O- InChIKey
RJVKWKAOIHNOQD-QDECMSLZSA-N- Molecular formula
- C20H20O6
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.12598836
Overview
Salicifolin has been reported in Bupleurum salicifolium with data available.
Names & identifiers
- Preferred name
- (3Z,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
- IUPAC
- (3Z,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
Names & synonyms
SCHEMBL30528025
Database identifiers
- Nikkaji
- J638.846I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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