Analyte Name

2-Hydroxy Estradiol 1-N3-Adenine

CAS Number

914934-02-4

Molecular Formula

C23 H27 N5 O3

Molecular Weight

421.492

Accurate Mass

421.211

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)c(c34)n5cnc(N)c6ncnc56)[C@@H]1CC[C@@H]2O

InChI

InChI=1S/C23H27N5O3/c1-23-7-6-13-12(14(23)4-5-16(23)30)3-2-11-8-15(29)20(31)19(17(11)13)28-10-27-21(24)18-22(28)26-9-25-18/h8-10,12-14,16,29-31H,2-7,24H2,1H3/t12-,13+,14+,16+,23+/m1/s1

IUPAC

(8R,9S,13S,14S,17S)-1-(6-aminopurin-3-yl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat