Styraxin
Basic information
- CAS
69742-32-1- Standard SMILES
COc1cc([C@@H]2OC[C@@H]3[C@H]2C(=O)O[C@H]3c2ccc3c(c2)OCO3)ccc1O- InChIKey
ADTULSGZUFJGNI-WSFKTYETSA-N- Molecular formula
- C20H18O7
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.10525291
Overview
Styraxin is a lignan.
Names & identifiers
- Preferred name
- Styraxin
- IUPAC
- (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
Names & synonyms
Styraxin69742-32-1(3R,3aR,6R,6aS)-6-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-oneC10887CHEBI:9295SCHEMBL31127714DTXSID30332043Q27108350(3R,3aS,6R,6aR)-3-(2H-1,3-Benzodioxol-5-yl)-6-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
Database identifiers
- CAS
69742-32-1- PubChem CID
- 443022
- DTXSID
DTXSID30332043- ChEBI
CHEBI:9295- Nikkaji
- J905.153H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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