(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Basic information
- CAS
333798-11-1- Standard SMILES
COc1cc2c(c(O)c1C)C(=O)[C@@]1(O)c3cccc(O)c3O[C@@H](OC)[C@@H]1O2- InChIKey
UPWSFMIXMFRGQP-OTWHNJEPSA-N- Molecular formula
- C19H18O8
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.10016753
Overview
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one has been reported in Mirabilis jalapa with data available.
Names & identifiers
- Preferred name
- (6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
- IUPAC
- (6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Names & synonyms
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-oneCHEMBL477898DTXSID701104785333798-11-1(6R,12aR)-4,11,12a-Trihydroxy-6,9-dimethoxy-10-methylchromano[3,4-b]chroman-12-onerel-(6R,6aR,12aR)-6a,12a-Dihydro-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Database identifiers
- CAS
333798-11-1- PubChem CID
- 487169
- DTXSID
DTXSID701104785- ChEMBL
CHEMBL477898- Nikkaji
- J1.522.620J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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