Basic information
- Standard SMILES
Cc1cc2c(O)cc3c(c2cc(O)c1=O)CCCC3(C)C- InChIKey
CIAYUCBRAFIKOE-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Overview
6,9-dihydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one has been reported in Salvia jaminiana with data available.
Names & identifiers
- Preferred name
- 6,9-dihydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
- IUPAC
- 6,9-dihydroxy-4,4,8-trimethyl-2,3-dihydro-1H-cyclohepta[a]naphthalen-10-one
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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