9H-Xanthen-9-one, 1,3,8-trihydroxy-2,4,6-trimethoxy-
Basic information
- CAS
83016-69-7- Standard SMILES
COc1cc(O)c2c(=O)c3c(O)c(OC)c(O)c(OC)c3oc2c1- InChIKey
NQYVMORMBASBCH-UHFFFAOYSA-N- Molecular formula
- C16H14O8
- Average molar mass
- 334.28 g/mol
- Monoisotopic mass
- 334.0688674
Overview
9H-Xanthen-9-one, 1,3,8-trihydroxy-2,4,6-trimethoxy- has been reported in Centaurium erythraea with data available.
Names & identifiers
- Preferred name
- 9H-Xanthen-9-one, 1,3,8-trihydroxy-2,4,6-trimethoxy-
- IUPAC
- 1,3,8-trihydroxy-2,4,6-trimethoxyxanthen-9-one
Names & synonyms
9H-Xanthen-9-one, 1,3,8-trihydroxy-2,4,6-trimethoxy-83016-69-7DTXSID90232131RefChem:108261DTXCID901546221,3,8-TRIHYDROXY-2,4,6-TRIMETHOXY-9H-XANTHEN-9-ONE1,6,8-Trihydroxy-3,5,7-trimethoxyxanthone
Database identifiers
- CAS
83016-69-7- PubChem CID
- 5488734
- DTXSID
DTXSID90232131- Nikkaji
- J445.254B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
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Related reactions
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Compound notes
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