Analyte Name

17-Hydroxy-21-iodopregna-4,9(11)-diene-3,20-dione

CAS Number

95816-38-9

Molecular Formula

C21H27IO3

Molecular Weight

454.35

Accurate Mass

454.1

SMILES

C[C@@]12[C@](CC[C@]2(O)C(CI)=O)([H])[C@@]3([H])C([C@@]4(C(CC3)=CC(CC4)=O)C)=CC1

InChI

InChI=1S/C21H27IO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1

IUPAC

(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-iodoacetyl)-10,13-dimethyl-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat