ent-isokaurene

Properties Image MNX_ID MNXM2822 reference chebi:50783 formula C20H32 global charge 0 mol weight 272.476 InChIKey DQUHDYWUEKWRLN-HPUSYDDDSA-N InChI InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1 SMILES CC1=C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 MNX internals InChI (mnx) InChI=1/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1 SMILES (mnx) [CH3:1][C:14]1=[CH:12][C@@:20]23[CH2:11][CH2:8][C@@H:16]4[C:18]([CH3:2])([CH3:3])[CH2:9][CH2:5][CH2:10][C@@:19]4([CH3:4])[C@@H:17]2[CH2:7][CH2:6][C@@H:15]1[CH2:13]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 12 in models (compartimentalized) 2