Analyte Name

4-Formyl-17beta-estradiol

CAS Number

123715-79-7

Molecular Formula

C19H24O3

Molecular Weight

300.4

Accurate Mass

300.17

SMILES

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

InChI

InChI=1S/C19H24O3/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/h4,6,10,13-14,16,18,21-22H,2-3,5,7-9H2,1H3/t13-,14-,16+,18+,19+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat