Basic information
- Standard SMILES
COc1c(Br)c2c(c(OC)c1OC)-c1c(c(Br)c3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)C2- InChIKey
IGOUNRUQTNLRJA-WDEREUQCSA-N- Molecular formula
- C23H26Br2O6
- Average molar mass
- 558.3 g/mol
- Monoisotopic mass
- 556.00961275
Names & identifiers
- Preferred name
- 5,12-Dibromo-kadsuranin
- IUPAC
- (9S,10R)-6,13-dibromo-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),3,5,13,18-hexaene
Names & synonyms
5,12-Dibromo-kadsuranindibromo-tetramethoxy-dimethyl-[?]
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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