platensic acid methyl ester

Properties Image MNX_ID MNXM108065 reference chebi:68257 formula C18H24O4 global charge 0 mol weight 304.386 InChIKey NUIVTFDVMXNHQW-URWOFZPHSA-N InChI InChI=1S/C18H24O4/c1-16(6-5-14(20)21-3)13(19)4-7-18-9-11-8-12(15(16)18)22-17(11,2)10-18/h4,7,11-12,15H,5-6,8-10H2,1-3H3/t11-,12+,15+,16-,17+,18+/m1/s1 SMILES COC(=O)CC[C@]1(C)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@@]4(C)C2)[C@H]31 MNX internals InChI (mnx) InChI=1/C18H24O4/c1-16(6-5-14(20)21-3)13(19)4-7-18-9-11-8-12(15(16)18)22-17(11,2)10-18/h4,7,11-12,15H,5-6,8-10H2,1-3H3/t11-,12+,15+,16-,17+,18+/m1/s1 SMILES (mnx) [CH3:1][C@@:16]1([CH2:6][CH2:5][C:14](=[O:20])[O:21][CH3:3])[C:13](=[O:19])[CH:4]=[CH:7][C@@:18]23[CH2:9][C@H:11]4[CH2:8][C@@H:12]([C@@H:15]12)[O:22][C@@:17]4([CH3:2])[CH2:10]3

Parent-child relations graph

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