taxa-4(5),11(12)-diene

Properties Image MNX_ID MNXM1780 reference chebi:30037 formula C20H32 global charge 0 mol weight 272.476 InChIKey FRJSECSOXKQMOD-HQRMLTQVSA-N InChI InChI=1S/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1 SMILES CC1=CCC[C@@]2(C)CCC3=C(C)CC[C@@H](C[C@H]12)C3(C)C MNX internals InChI (mnx) InChI=1/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3/t16-,18+,20-/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[CH:7][CH2:6][CH2:11][C@@:20]2([CH3:5])[CH2:12][CH2:10][C:17]3=[C:15]([CH3:2])[CH2:8][CH2:9][C@@H:16]([CH2:13][C@H:18]12)[C:19]3([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0