(11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one
Basic information
- CAS
157110-18-4- Standard SMILES
CC1=C(C)C2=CC(=O)c3c(c(O)c4occ(C)c4c3O)[C@@]2(C)CC1- InChIKey
VGDAVGPDHBMHBW-FQEVSTJZSA-N- Molecular formula
- C20H20O4
- Average molar mass
- 324.4 g/mol
Names & identifiers
- Preferred name
- (11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one
- IUPAC
- (11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one
- English name
- Ajuforrestin A
- Molecular formula
- C20H20O4
- Molecular weight
- 324.37
Names & synonyms
CHEMBL5205600Ajuforrestin APhenanthro[3,2-b]furan-6(2H)-one, 1,11b-dihydro-7,11-dihydroxy-3,4,8,11b-tetramethyl-
Database identifiers
- CAS
157110-18-4- ChEMBL
CHEMBL5205600
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 429.6 · 429.6±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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