3-Hydroxy-1,8-dimethoxy-4-(tetrahydro-2-methoxy-3-furanyl)-9H-xanthen-9-one
Basic information
- CAS
31470-76-5- Standard SMILES
COc1cccc2oc3c(C4CCOC4OC)c(O)cc(OC)c3c(=O)c12- InChIKey
RIEXEJACHRHEAL-UHFFFAOYSA-N- Molecular formula
- C20H20O7
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.12090297
Names & identifiers
- Preferred name
- 3-Hydroxy-1,8-dimethoxy-4-(tetrahydro-2-methoxy-3-furanyl)-9H-xanthen-9-one
- IUPAC
- 3-hydroxy-1,8-dimethoxy-4-(2-methoxyoxolan-3-yl)xanthen-9-one
Names & synonyms
31470-76-53-Hydroxy-1,8-dimethoxy-4-(tetrahydro-2-methoxy-3-furanyl)-9H-xanthen-9-oneDTXSID309534799H-Xanthen-9-one, 3-hydroxy-1,8-dimethoxy-4-(tetrahydro-2-methoxy-3-furanyl)-3-HYDROXY-1,8-DIMETHOXY-4-(2-METHOXYOXOLAN-3-YL)-9H-XANTHEN-9-ONE
Database identifiers
- CAS
31470-76-5- PubChem CID
- 5487968
- DTXSID
DTXSID30953479
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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