(1S,3S,3aR,6S,6aR,9aS,9bS)-6-isocyano-3,6-dimethyl-9-methylidene-1-(2-methylprop-1-enyl)-2,3,3a,4,5,6a,7,8,9a,9b-decahydro-1H-phenalene

Properties Image MNX_ID MNXM100956 reference chebi:69053 formula C21H31N global charge 0 mol weight 297.486 InChIKey YLUPPLFDZXAQDE-YMJVXHRNSA-N InChI InChI=1S/C21H31N/c1-13(2)11-16-12-15(4)17-9-10-21(5,22-6)18-8-7-14(3)19(16)20(17)18/h11,15-20H,3,7-10,12H2,1-2,4-5H3/t15-,16+,17+,18+,19-,20+,21-/m0/s1 SMILES [C-]#[N+][C@@]1(C)CC[C@H]2[C@H]3[C@@H](C(=C)CC[C@H]31)[C@H](C=C(C)C)C[C@@H]2C MNX internals InChI (mnx) InChI=1/C21H31N/c1-13(2)11-16-12-15(4)17-9-10-21(5,22-6)18-8-7-14(3)19(16)20(17)18/h11,15-20H,3,7-10,12H2,1-2,4-5H3/t15-,16+,17+,18+,19-,20+,21-/m0/s1 SMILES (mnx) [CH3:1][C:13]([CH3:2])=[CH:11][C@@H:16]1[CH2:12][C@H:15]([CH3:4])[C@H:17]2[CH2:9][CH2:10][C@:21]([CH3:5])([N+:22]#[C-:6])[C@@H:18]3[CH2:8][CH2:7][C:14](=[CH2:3])[C@@H:19]1[C@H:20]23

Parent-child relations graph

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