![(7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol structure, CAS 153004-31-0](/structures/180000/168181_2_153004_31_0.png)
CAS Number153004-31-0
SynonymsICI 182,780; (7α,17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-triene-3,17-diol; (7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol
Molecular FormulaC32H47F5O2S
Molecular Weight590.771
Density1.2±0.1 g/cm3
Boiling Point622.1±55.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 153004-31-0 |
| Catalog No. | 2A-1168138 |
| Chinese Name | (7A,17B)- 7-[9-[(4,4,5,5,5-五氟戊基)硫]壬基]雌甾-1,3,5(10)-三烯-3,17-二醇 |
| Synonyms | ICI 182,780; (7α,17β)-7-{9-[(4,4,5,5,5-Pentafluoropentyl)sulfanyl]nonyl}estra-1,3,5(10)-triene-3,17-diol; (7a,17b)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)thio]nonyl]-estra-1,3,5(10)-triene-3,17-diol |
| Molecular Formula | C32H47F5O2S |
| Molecular Weight | 590.771 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 622.1±55.0 °C at 760 mmHg |
| Storage Condition | room temperature, dry |
| PubChem ID | 16408614 |
| SMILES | CC12CCC3c4ccc(O)cc4CC(CCCCCCCCCSCCCC(F)(F)C(F)(F)F)C3C1CCC2O |
| InChI | InChI=1S/C32H47F5O2S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-40-19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+/m1/s1 |
| InChI Key | BVAUHWMMAVAPFK-LSVBPWPTSA-N |
| Transport Info | Product name: (7A,17B)-7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estradiol-1,3,5(10)-triene-3,17-diol |
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