17beta-Pyrazol-3-ylandrost-5-en-3beta-ol

Properties Image MNX_ID MNXM33732 reference chebi:79712 formula C22H32N2O global charge 0 mol weight 340.511 InChIKey XUSSDKMAUSOQSK-SPHVDITISA-N InChI InChI=1S/C22H32N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,9,12,15-19,25H,4-8,10-11,13H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1 SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C1=NNC=C1 MNX internals InChI (mnx) InChI=1/C22H32N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,9,12,15-19,25H,4-8,10-11,13H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1 SMILES (mnx) [CH3:1][C@:21]12[CH2:10][CH2:7][C@H:15]([OH:25])[CH2:13][C:14]1=[CH:3][CH2:4][C@H:16]1[C@@H:17]3[CH2:5][CH2:6][C@H:19]([C:20]4=[N:24][NH:23][CH:12]=[CH:9]4)[C@@:22]3([CH3:2])[CH2:11][CH2:8][C@@H:18]12

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0