DIHYDROERGOCORNINE MESYLATE

14271-04-6

MFCD11865251

C31 H41 N5 O5 . C H4 O3 S

659.8

InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21-,23-,24+,26+,30-,31+;/m1./s1

InChIKey=UOOWRCRLTSXSAV-GSZJWLEYSA-N

CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O.CS(=O)(=O)O

H bond donor:3

H bond acceptor:10

XLogP3:2.0

Bulk/Fine:F