23760-34-1
| Name | Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(2-propen-1-yl)-, (17β)- |
| CAS | 23760-34-1 |
| Molecular Formula | C21H28O2 |
| Molecular Weight | 312.45 |
| MOL File | 23760-34-1.mol |
Chemical Properties
| Melting point | 87 °C(Solv: isopropyl ether (108-20-3)) |
| Boiling point | 470.2±45.0 °C(Predicted) |
| density | 1.13±0.1 g/cm3(Predicted) |
| pka | 14.82±0.40(Predicted) |
| InChI | InChI=1/C21H28O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,18-19,23H,1,4-7,9-13H2,2H3/t18-,19+,20+,21+/s3 |
| InChIKey | LEDWEGMIHITLGL-QELGRXQPNA-N |
| SMILES | C[C@]12CC=C3C4CCC(=O)CC=4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC=C |&1:1,14,16,20,r| |
Safety Data
| Symbol(GHS) |   GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H361-H373-H411 |
| Precautionary statements | P201-P202-P281-P308+P313-P405-P501-P260-P314-P501 |
| REACH Registrations | Active |