cardenolide

Properties Image MNX_ID MNXM103513 reference chebi:71620 formula C23H34O2 global charge 0 mol weight 342.523 InChIKey JIUWTCXNUNHEGP-GJHPUSIBSA-N InChI InChI=1S/C23H34O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h13,16-20H,3-12,14H2,1-2H3/t16?,17-,18+,19+,20-,22-,23+/m0/s1 SMILES C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@H]1CC[C@@H]2C1=CC(=O)OC1 MNX internals InChI (mnx) InChI=1/C23H34O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h13,16-20H,3-12,14H2,1-2H3/t16?,17-,18+,19+,20-,22-,23+/m0/s1 SMILES (mnx) [CH3:1][C@:22]12[CH2:11][CH2:4][CH2:3][CH2:5][CH:16]1[CH2:6][CH2:7][C@H:17]1[C@H:19]3[CH2:9][CH2:8][C@H:18]([C:15]4=[CH:13][C:21](=[O:24])[O:25][CH2:14]4)[C@@:23]3([CH3:2])[CH2:12][CH2:10][C@@H:20]12

Parent-child relations graph

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