11beta,21-Dihydroxypregn-4-ene-3,20-dione 21-acetate

Properties Image MNX_ID MNXM33202 reference chebi:34141 formula C23H32O5 global charge 0 mol weight 388.504 InChIKey WKQCPUMQBMFPLC-ZWFCQKKLSA-N InChI InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1 SMILES CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C MNX internals InChI (mnx) InChI=1/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1 SMILES (mnx) [CH3:1][C:13](=[O:24])[O:28][CH2:12][C:20]([C@H:18]1[CH2:7][CH2:6][C@H:17]2[C@@H:16]3[CH2:5][CH2:4][C:14]4=[CH:10][C:15](=[O:25])[CH2:8][CH2:9][C@:22]4([CH3:2])[C@H:21]3[C@@H:19]([OH:26])[CH2:11][C@@:23]21[CH3:3])=[O:27]

Parent-child relations graph

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