beta-decaethylcalix[5]furan

Properties Image MNX_ID MNXM44079 reference chebi:51409 formula C45H60O5 global charge 0 mol weight 680.97 InChIKey FFZNHBLUOGSJBK-UHFFFAOYSA-N InChI InChI=1S/C45H60O5/c1-11-26-27(12-2)37-22-39-30(15-5)31(16-6)41(48-39)24-43-34(19-9)35(20-10)45(50-43)25-44-33(18-8)32(17-7)42(49-44)23-40-29(14-4)28(13-3)38(47-40)21-36(26)46-37/h11-25H2,1-10H3 SMILES CCC1=C2CC3=C(CC)C(CC)=C(CC4=C(CC)C(CC)=C(CC5=C(CC)C(CC)=C(CC6=C(CC)C(CC)=C(CC(=C1CC)O2)O6)O5)O4)O3 MNX internals InChI (mnx) InChI=1/C45H60O5/c1-11-26-27(12-2)37-22-39-30(15-5)31(16-6)41(48-39)24-43-34(19-9)35(20-10)45(50-43)25-44-33(18-8)32(17-7)42(49-44)23-40-29(14-4)28(13-3)38(47-40)21-36(26)46-37/h11-25H2,1-10H3 SMILES (mnx) [CH3:1][CH2:11][C:26]1=[C:36]2[CH2:21][C:38]3=[C:28]([CH2:13][CH3:3])[C:29]([CH2:14][CH3:4])=[C:40]([CH2:23][C:42]4=[C:32]([CH2:17][CH3:7])[C:33]([CH2:18][CH3:8])=[C:44]([CH2:25][C:45]5=[C:35]([CH2:20][CH3:10])[C:34]([CH2:19][CH3:9])=[C:43]([CH2:24][C:41]6=[C:31]([CH2:16][CH3:6])[C:30]([CH2:15][CH3:5])=[C:39]([CH2:22][C:37](=[C:27]1[CH2:12][CH3:2])[O:46]2)[O:48]6)[O:50]5)[O:49]4)[O:47]3

Parent-child relations graph

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