For research use only. Not for therapeutic Use.
| Catalog Number | R046970 |
| CAS Number | 261506-27-8 |
| Synonyms | (7α,17β)-17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl β-D-Glucopyranosiduronic Acid; |
| Molecular Formula | C38H55F5O9S |
| Purity | ≥95% |
| Storage | Store at -20°C |
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid |
| InChI | InChI=1S/C38H55F5O9S/c1-36-17-15-26-25-12-11-24(51-35-32(47)30(45)31(46)33(52-35)34(48)49)21-23(25)20-22(29(26)27(36)13-14-28(36)44)10-7-5-3-2-4-6-8-18-53(50)19-9-16-37(39,40)38(41,42)43/h11-12,21-22,26-33,35,44-47H,2-10,13-20H2,1H3,(H,48,49)/t22-,26-,27+,28+,29-,30+,31+,32-,33+,35-,36+,53?/m1/s1 |
| InChIKey | RSOPWVCNVAHMQZ-HMGPPUQISA-N |
| SMILES | CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F |
