21-HYDROXYPREGNENOLONE 21-SULFATE POTASSIUM SALT

99683-67-7

MFCD00078803

C21 H31 O6 S . K

450.634

InChI=1S/C21H32O6S.K/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19(23)12-27-28(24,25)26)21(16,2)10-8-17(15)20;/h3,14-18,22H,4-12H2,1-2H3,(H,24,25,26);/q;+1/p-1/t14-,15-,16-,17-,18+,20-,21-;/m0./s1

InChIKey=BQJKWCUSIUASFB-DRVFLJLTSA-M

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)[O-])CC=C4[C@@]3(CC[C@@H](C4)O)C.[K+]

pro_donors:1

pro_acceptors:6

XLogP3:0.0

Bulk/Fine:F