16alpha,17alpha-Epoxy-3,20-dioxopregn-4-en-21-yl acetate

Properties Image MNX_ID MNXM33556 reference chebi:34170 formula C23H30O5 global charge 0 mol weight 386.488 InChIKey QZHWBQCNOKNTPO-UIHBBMEUSA-N InChI InChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1 SMILES CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C MNX internals InChI (mnx) InChI=1/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1 SMILES (mnx) [CH3:1][C:13](=[O:24])[O:27][CH2:12][C:19]([C@@:23]12[C@@H:20]([CH2:11][C@H:18]3[C@@H:16]4[CH2:5][CH2:4][C:14]5=[CH:10][C:15](=[O:25])[CH2:6][CH2:8][C@:21]5([CH3:2])[C@H:17]4[CH2:7][CH2:9][C@@:22]31[CH3:3])[O:28]2)=[O:26]

Parent-child relations graph

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