AC1Q6CUW
(8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Ditestosteroxydiphenylsilane|KST-1A5311|(17|A,17'|A)-17,17'-[(diphenylsilanediyl)bis(oxy)]bisandrost-4-en-3-one|Androst-4-en-3-one, 17beta,17'beta-((diphenylsilylene)dioxy)di-|(8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C50H64O4Si |
|---|---|
| Molecular Weight | 756.4574 g/mol |
| LogP | 10.0772 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 756.4574 |
| Monoisotopic Mass | 756.4574 |
| Heavy Atoms | 55 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 5243-82-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)O[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7CCC9=CC(=O)CC[C@]89C)C)CCC1=CC(=O)CC[C@]31C |
| InChIKey | BBEQKIUJQPOHPG-OBCMTGTFSA-N |
Product Overview
AC1Q6CUW (CAS 5243-82-3), with molecular formula C50H64O4Si and molecular weight 756.4574 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.