940280-80-8
| Name | (3aS,6aS)-1,3a,4,6a-tetrahydro-3,6-diphenylpentalene |
| CAS | 940280-80-8 |
| Molecular Formula | C20H18 |
| MDL Number | MFCD11045471 |
| Molecular Weight | 258.36 |
| MOL File | 940280-80-8.mol |
Chemical Properties
| Melting point | 104-109 °C |
| Boiling point | 415.5±45.0 °C(Predicted) |
| density | 1.104±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | powder |
| Optical Rotation | [α]22/D +451, c =1 in chloroform |
| InChI | 1S/C20H18/c1-3-7-15(8-4-1)17-11-13-20-18(12-14-19(17)20)16-9-5-2-6-10-16/h1-12,19-20H,13-14H2/t19-,20-/m1/s1 |
| InChIKey | IEWYLVULSUMUEM-WOJBJXKFSA-N |
| SMILES | C1C=C([C@H]2CC=C([C@@H]12)c3ccccc3)c4ccccc4 |