For research use only. Not for therapeutic Use.
Catalog Number | R023066 |
CAS Number | 16680-47-0 |
Synonyms | 3-(Sulfooxy)estra-1,3,5(10),7-tetraen-17-one Sodium Salt; 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one Hydrogen Sulfate Sodium Salt; Sodium Equilin 3-Monosulfate; Sodium Equilin Sulfate; |
Molecular Formula | C18H19NaO5S |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | sodium;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate |
InChI | InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1 |
InChIKey | QTTMOCOWZLSYSV-QWAPEVOJSA-M |
SMILES | CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])C1CCC2=O.[Na+] |