DIGOXIGENIN HYDRATE

207226-38-8

MFCD15142037

C23 H34 O5 . H2 O

408.531

InChI=1S/C23H34O5.H2O/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13;/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3;1H2/t14-,15+,16-,17-,18+,19-,21+,22+,23+;/m1./s1

InChIKey=GOBOTBUNHUSDHV-FVWXFDTCSA-N

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O.O

pro_donors:3

pro_acceptors:5

XLogP3:1.0

Bulk/Fine:F