Analyte Name

4-Formylestrone

CAS Number

13879-56-6

Molecular Formula

C19H22O3

Molecular Weight

298.38

Accurate Mass

298.16

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(C=O)C(O)=CC4)(CC1)[H])[H])(CCC2=O)[H]

InChI

InChI=1S/C19H22O3/c1-19-9-8-13-11-4-6-17(21)15(10-20)12(11)2-3-14(13)16(19)5-7-18(19)22/h4,6,10,13-14,16,21H,2-3,5,7-9H2,1H3/t13-,14-,16+,19+/m1/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat