Analyte Name

6-Oxoestriol

CAS Number

7323-86-6

Molecular Formula

C18 H22 O4

Molecular Weight

302.36

Accurate Mass

302.1518

SMILES

C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O

InChI

InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1

IUPAC

(8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Estriol