Demethyleustomin
Basic information
- CAS
82868-96-0- Standard SMILES
COc1cc(O)c2c(=O)c3c(O)c(OC)c(OC)c(OC)c3oc2c1- InChIKey
PFIUFQOJAPBLTQ-UHFFFAOYSA-N- Molecular formula
- C17H16O8
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.08451746
Overview
1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone has been reported in Centaurium erythraea, Centaurium littorale, and Centaurium pulchellum with data available.
Names & identifiers
- Preferred name
- Demethyleustomin
- IUPAC
- 1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
- English name
- demethyleustomin
- Molecular weight
- 0
Names & synonyms
Demethyleustomin82868-96-01,8-Dihydroxy-3,5,6,7-tetramethoxyxanthoneDemethyl-eustomin1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one1,8-dihydroxy-3,5,6,7-tetramethoxy-xanthoneRefChem:1317471,8-Dihydroxy-2,3,4,6-tetramethoxy-9H-xanthen-9-one9H-Xanthen-9-one, 1,8-dihydroxy-2,3,4,6-tetramethoxy-DemethylEustomineDTXSID2010029801,8-Dihydroxy-3,5,6,7-tetramethoxy-9H-xanthene-9-one
Database identifiers
- CAS
82868-96-0- PubChem CID
- 5487631
- DTXSID
DTXSID201002980- Nikkaji
- J445.256I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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