(17R,21-ALPHA)-17,21-DIHYDROXY-4-(2-HYDROXY-3-PIPERIDINOPROPYL)AJMALAN IUM

47739-41-3

MFCD01674154

C28 H42 N3 O3

468.658

InChI=1S/C28H42N3O3/c1-3-18-19-13-22-25-28(20-9-5-6-10-21(20)29(25)2)14-23(24(19)26(28)33)31(22,27(18)34)16-17(32)15-30-11-7-4-8-12-30/h5-6,9-10,17-19,22-27,32-34H,3-4,7-8,11-16H2,1-2H3/q+1/t17?,18-,19-,22-,23-,24+,25-,26+,27+,28+,31?/m0/s1

InChIKey=PBXKNIPBIUGHOK-WRGXORCESA-N

CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@@H]2[C@H]5O)[N+]3([C@@H]1O)CC(CN6CCCCC6)O)c7ccccc7N4C

pro_donors:3

pro_acceptors:6

XLogP3:0.0

Bulk/Fine:F