Analyte Name

Ethynyl Estradiol 3-Dansyl Chloride

CAS Number

100821-86-1

Molecular Formula

C32 H35 N O4 S

Molecular Weight

529.69

Accurate Mass

529.229

SMILES

CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc3ccc4[C@H]5CC[C@@]6(C)[C@@H](CC[C@]6(O)C#C)[C@@H]5CCc4c3

InChI

InChI=1S/C32H35NO4S/c1-5-32(34)19-17-28-25-14-12-21-20-22(13-15-23(21)24(25)16-18-31(28,32)2)37-38(35,36)30-11-7-8-26-27(30)9-6-10-29(26)33(3)4/h1,6-11,13,15,20,24-25,28,34H,12,14,16-19H2,2-4H3/t24-,25-,28+,31+,32-/m1/s1

IUPAC

[(8R,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat