Analyte Name

2-Hydroxy Estrone 1-N7-Guanine

Molecular Formula

C23 H25 N5 O4

Molecular Weight

435.476

Accurate Mass

435.191

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)c(c34)n5cnc6N=C(N)NC(=O)c56)[C@@H]1CCC2=O

InChI

InChI=1S/C23H25N5O4/c1-23-7-6-12-11(13(23)4-5-15(23)30)3-2-10-8-14(29)19(31)17(16(10)12)28-9-25-20-18(28)21(32)27-22(24)26-20/h8-9,11-13,29,31H,2-7H2,1H3,(H3,24,26,27,32)/t11-,12+,13+,23+/m1/s1

IUPAC

2-amino-7-[(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl]-1H-purin-6-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat