Analyte Name

6-(O-Carboxymethyl)oximinoestradiol

CAS Number

55591-50-9

Molecular Formula

C20 H25 N O5

Molecular Weight

359.416

Accurate Mass

359.173

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)\C(=N/OCC(=O)O)\Cc4cc(O)ccc34

InChI

InChI=1S/C20H25NO5/c1-20-7-6-14-13-3-2-12(22)8-11(13)9-16(21-26-10-18(24)25)19(14)15(20)4-5-17(20)23/h2-3,8,14-15,17,19,22-23H,4-7,9-10H2,1H3,(H,24,25)/b21-16-/t14-,15+,17+,19-,20+/m1/s1

IUPAC

2-[(Z)-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-7-ylidene]amino]oxyacetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat