Dex-ncs
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-[2-(2-isothiocyanatoethylsulfanyl)acetyl]-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C25H32FNO4S2 |
|---|---|
| Molecular Weight | 493.7 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 144.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.1757 |
| Heavy Atoms | 33 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 131567-23-2 |
|---|---|
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CSCCN=C=S)O)C)O)F)C |
| InChIKey | WTZZZLTVUGGSLC-DCWIGXARSA-N |
📖 Product Overview
Dex-ncs (CAS: 131567-23-2) is a chemical compound with molecular formula C25H32FNO4S2 and molecular weight 493.7 g/mol. Its IUPAC systematic name is (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-[2-(2-isothiocyanatoethylsulfanyl)acetyl]-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
WTZZZLTVUGGSLC-DCWIGXARSA-N.
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CSCCN=C=S)O)C)O)F)C.
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