Flavoskyrin
Basic information
- CAS
39546-16-2- Standard SMILES
Cc1cc(O)c2c(c1)C(=O)C13Oc4c5c(c(O)c6c(O)cc(C)cc46)C(=O)CC(O)C5C1C(O)CC(=O)C3=C2O- InChIKey
FGOBSKJMUFAKJO-UHFFFAOYSA-N- Molecular formula
- C30H24O10
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.13694696
Overview
See also: Flavoskyrin (annotation moved to).
Names & identifiers
- Preferred name
- Flavoskyrin
- IUPAC
- 3,7,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.02,15.06,15.08,13.018,23.025,29]nonacosa-6,8(13),9,11,17(29),18(23),19,21,24-nonaene-5,14,26-trione
- English name
- Flavoskyrin
- Molecular formula
- C30H24O10
- Molecular weight
- 544.51
Names & synonyms
Flavoskyrin39546-16-23,7,9,22,24,28-Hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.02,15.06,15.08,13.018,23.025,29]nonacosa-6,8(13),9,11,17(29),18(23),19,21,24-nonaene-5,14,26-trioneDTXSID009601552H-Dibenzo(c,mn)naphtho(2,3-g)xanthene-6,13,18(3H)-trione, 3a,3b,4,5-tetrahydro-1,3,4,7,8,17-hexahydroxy-10,15-dimethyl- (VAN)3,4,7,8,17,18-Hexahydroxy-10,15-dimethyl-3a,3b,4,5-tetrahydro-2H-dibenzo[c,mn]naphtho[2,3-g]xanthene-1,6,13(3H)-trione2H-Dibenzo[c,mn]naphtho[2,3-g]xanthene-6,13,18(3H)-trione, 3a,3b,4,5-tetrahydro-1,3,4,7,8,17-hexahydroxy-10,15-dimethyl-, (3S,3aR,3bS,4S,12aR)-
Database identifiers
- CAS
39546-16-2- PubChem CID
- 150277
- DTXSID
DTXSID00960155
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,180
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- Boiling point
- 897.8 · 897.8±65.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Additional notes
DefinitionAn anthraquinoid mycotoxin that is extremely toxic to cultured Helas, the protozoan Tetrahymena pyriformis, and Escherichia coli mutants.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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