Averufanin
Basic information
- CAS
28458-24-4- Standard SMILES
C[C@H]1CCC[C@@H](c2c(O)cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O1- InChIKey
RMAWHAJLOCVQTG-RTHLEPHNSA-N- Molecular formula
- C20H18O7
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.10525291
Overview
1,3,6,8-tetrahydroxy-2-[(2S,6S)-6-methyloxan-2-yl]anthracene-9,10-dione has been reported in Aspergillus versicolor, Aspergillus parasiticus, and other organisms with data available.
Names & identifiers
- Preferred name
- Averufanin
- IUPAC
- 1,3,6,8-tetrahydroxy-2-[(2S,6S)-6-methyloxan-2-yl]anthracene-9,10-dione
- English name
- averufanin
- Molecular formula
- C20H18O7
- Molecular weight
- 370.355
Names & synonyms
Averufanin28458-24-4RefChem:9165391,3,6,8-tetrahydroxy-2-[(2S,6S)-6-methyloxan-2-yl]anthracene-9,10-dioneSCHEMBL15676485DTXSID609511051,3,6,8-Tetrahydroxy-2-(6-methyloxan-2-yl)anthracene-9,10-dione9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-((2R,6R)-tetrahydro-6-methyl-2H-pyran-2-yl)-, rel-(+)-9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-(tetrahydro-6-methyl-2H-pyran-2-yl)-, cis-(+)- (VAN)
Database identifiers
- CAS
28458-24-4- PubChem CID
- 119255
- DTXSID
DTXSID60951105- Nikkaji
- J237.996A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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