16beta-methylpregn-4-ene-3,20-dione

Properties Image MNX_ID MNXM33578 reference chebi:79767 formula C22H32O2 global charge 0 mol weight 328.496 InChIKey JYYRDDFNMDZIIP-HQJDTPGISA-N InChI InChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1 SMILES CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1 SMILES (mnx) [CH3:1][C@H:13]1[CH2:11][C@H:19]2[C@@H:17]3[CH2:6][CH2:5][C:15]4=[CH:12][C:16](=[O:24])[CH2:7][CH2:9][C@:21]4([CH3:3])[C@H:18]3[CH2:8][CH2:10][C@:22]2([CH3:4])[C@H:20]1[C:14]([CH3:2])=[O:23]

Parent-child relations graph

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