4-Hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanal
Basic information
- CAS
62218-05-7- Standard SMILES
O=CC(CCO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O- InChIKey
GMVJTFZRAUCHLC-UHFFFAOYSA-N- Molecular formula
- C18H14O8
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.0688674
Overview
Versiconal hydroxyaldehyde form is the tricyclic anthraquinone-hydroxyaldehyde form of versicolorone. It is an aldehyde, a tetrahydroxyanthraquinone and a versiconal.
Names & identifiers
- Preferred name
- 4-Hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanal
- IUPAC
- 4-hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butanal
- English name
- versiconal
- Molecular formula
- C18H14O8
- Molecular weight
- 358.29896
Names & synonyms
CHEBI:71663DTXSID109777994-hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanalVersiconal hydroxyaldehydeRefChem:935791DTXCID401405136versiconal hydroxyaldehyde form62218-05-7versiconal tricyclic form4-hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxoanthracen-2-yl)butanalQ27139791(-)-9,10-Dihydro-1,3,6,8-tetrahydroxy-alpha-(2-hydroxyethyl)-9,10-dioxo-2-anthraceneacetaldehyde
Show more names
versiconal
Database identifiers
- CAS
62218-05-7- PubChem CID
- 119290
- DTXSID
DTXSID10977799- ChEBI
CHEBI:71663
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Chemistry & industry
Additional notes
DefinitionChEBI: The tricyclic anthraquinone-hydroxyaldehyde form of versicolorone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…