Analyte Name

4-Chloroestradiol

CAS Number

88847-88-5

Molecular Formula

C18H23ClO2

Molecular Weight

306.83

Accurate Mass

306.14

SMILES

ClC1=C(CC[C@]2([H])[C@]3([H])CC[C@@]4([C@H](CC[C@@]24[H])O)C)C3=CC=C1O

InChI

InChI=1S/C18H23ClO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1

IUPAC

8R,9S,13S,14S,17S)-4-chloro-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat