3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate

Properties Image MNX_ID MNXM36942 reference chebi:79905 formula C23H34O5 global charge 0 mol weight 390.52 InChIKey RSBZZVJLNTXCGU-FEQOUAIHSA-N InChI InChI=1S/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)20(17)19(26)12-22(18,23)4/h15-18,20,27H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,21-,22-,23-/m0/s1 SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)C1 MNX internals InChI (mnx) InChI=1/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)20(17)19(26)12-22(18,23)4/h15-18,20,27H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,21-,22-,23-/m0/s1 SMILES (mnx) [CH3:1][C:13]([C@@:23]1([OH:27])[CH2:10][CH2:8][C@H:18]2[C@@H:17]3[CH2:6][CH2:5][C@H:15]4[CH2:11][C@@H:16]([O:28][C:14]([CH3:2])=[O:25])[CH2:7][CH2:9][C@:21]4([CH3:3])[C@H:20]3[C:19](=[O:26])[CH2:12][C@@:22]21[CH3:4])=[O:24]

Parent-child relations graph

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