Samandenone

Properties Image MNX_ID MNXM81453 reference chebi:144411 formula C22H33NO2 global charge 0 mol weight 343.511 InChIKey YVWOGPJZTKNLJO-BYXPGVIDSA-N InChI InChI=1S/C22H33NO2/c1-12(2)20-17(24)10-16-14-6-5-13-9-19-23-11-18(25-19)22(13,4)15(14)7-8-21(16,20)3/h10,12-15,18-20,23H,5-9,11H2,1-4H3/t13-,14-,15+,18+,19+,20+,21+,22+/m1/s1 SMILES CC(C)[C@H]1C(=O)C=C2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C22H33NO2/c1-12(2)20-17(24)10-16-14-6-5-13-9-19-23-11-18(25-19)22(13,4)15(14)7-8-21(16,20)3/h10,12-15,18-20,23H,5-9,11H2,1-4H3/t13-,14-,15+,18+,19+,20+,21+,22+/m1/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C@H:20]1[C:17](=[O:24])[CH:10]=[C:16]2[C@@H:14]3[CH2:6][CH2:5][C@@H:13]4[CH2:9][C@H:19]5[NH:23][CH2:11][C@@H:18]([C@:22]4([CH3:4])[C@H:15]3[CH2:7][CH2:8][C@@:21]21[CH3:3])[O:25]5

Parent-child relations graph

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