(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol
- Product Name(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol
- CAS101692-02-8
- MFC21H32O3
- MW332.48
- EINECS
- MOL File101692-02-8.mol
Chemical Properties
| Melting point | 113-115 °C |
| Boiling point | 506.1±50.0 °C(Predicted) |
| Density | 1.106±0.06 g/cm3(Predicted) |
| pka | 10.34±0.60(Predicted) |
| InChI | InChI=1S/C21H32O3/c1-2-3-4-7-16(22)9-10-17-18-11-14-6-5-8-20(23)19(14)12-15(18)13-21(17)24/h5-6,8,15-18,21-24H,2-4,7,9-13H2,1H3/t15-,16-,17+,18-,21+/m0/s1 |
| InChIKey | UTGPMEMKMRVGNE-HUTLKBDOSA-N |
| SMILES | [C@@H]1(CC[C@@H](O)CCCCC)[C@]2([H])[C@@]([H])(CC3=C(O)C=CC=C3C2)C[C@H]1O |