((10R,11S)-11-(benzoyloxy)-8,9,10,11-tetrahydrobenzo(b)phenanthren-10-yl) benzoate
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Basic information
- CAS
91423-00-6- Standard SMILES
O=C(O[C@@H]1CCc2cc3ccc4ccccc4c3cc2[C@@H]1OC(=O)c1ccccc1)c1ccccc1- InChIKey
WIMYFYNPLVOTJK-IHLOFXLRSA-N- Molecular formula
- C32H24O4
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.16745924
Names & identifiers
- Preferred name
- ((10R,11S)-11-(benzoyloxy)-8,9,10,11-tetrahydrobenzo(b)phenanthren-10-yl) benzoate
- IUPAC
- [(10R,11S)-11-benzoyloxy-8,9,10,11-tetrahydrobenzo[a]anthracen-10-yl] benzoate
Names & synonyms
91423-00-6((10R,11S)-11-(benzoyloxy)-8,9,10,11-tetrahydrobenzo(b)phenanthren-10-yl) benzoateDTXSID20919746(10R,11S)-8,9,10,11-tetrahydrotetraphene-10,11-diyl dibenzoate8,9,10,11-Tetrahydrotetraphene-10,11-diyl dibenzoate
Database identifiers
- CAS
91423-00-6- PubChem CID
- 190146
- DTXSID
DTXSID20919746
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
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Compound notes
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