Abiraterone sulfate

Properties Image MNX_ID MNXM151708 reference chebi:175481 formula C24H31NO4S global charge 0 mol weight 429.582 InChIKey LUQSJWRTYLGZJB-ZHVNYGEGSA-N InChI InChI=1S/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18?,19-,21-,22-,23-,24+/m0/s1 SMILES C[C@]12CCC(OS(=O)(=O)O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(C3=CC=CN=C3)=CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18?,19-,21-,22-,23-,24+/m0/s1 SMILES (mnx) [CH3:1][C@:23]12[CH2:11][CH2:9][CH:18]([O:29][S:30]([OH:26])(=[O:27])=[O:28])[CH2:14][C:17]1=[CH:5][CH2:6][C@H:19]1[C@@H:21]3[CH2:8][CH:7]=[C:20]([C:16]4=[CH:15][N:25]=[CH:13][CH:3]=[CH:4]4)[C@@:24]3([CH3:2])[CH2:12][CH2:10][C@@H:22]12

Parent-child relations graph

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