3beta-(1-Pyrrolidinyl)-5alpha-pregnane-11,20-dione

Properties Image MNX_ID MNXM36949 reference chebi:79536 formula C25H39NO2 global charge 0 mol weight 385.592 InChIKey JYBLPRVSUYUPPM-USQBOPSSSA-N InChI InChI=1S/C25H39NO2/c1-16(27)20-8-9-21-19-7-6-17-14-18(26-12-4-5-13-26)10-11-24(17,2)23(19)22(28)15-25(20,21)3/h17-21,23H,4-15H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-,25+/m0/s1 SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C MNX internals InChI (mnx) InChI=1/C25H39NO2/c1-16(27)20-8-9-21-19-7-6-17-14-18(26-12-4-5-13-26)10-11-24(17,2)23(19)22(28)15-25(20,21)3/h17-21,23H,4-15H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-,25+/m0/s1 SMILES (mnx) [CH3:1][C:16]([C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@@H:19]3[CH2:7][CH2:6][C@H:17]4[CH2:14][C@@H:18]([N:26]5[CH2:12][CH2:4][CH2:5][CH2:13]5)[CH2:10][CH2:11][C@:24]4([CH3:2])[C@H:23]3[C:22](=[O:28])[CH2:15][C@:25]12[CH3:3])=[O:27]

Parent-child relations graph

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