rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene

Properties Image MNX_ID MNXM108487 reference chebi:69951 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey BGCBFCPMURPDPJ-WIFYINSBSA-N InChI InChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8-/t15-,16+,18+,19-,20+/m1/s1 SMILES C=C(C)[C@H]1CC(=O)[C@]2(C)C/C=C(/C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8-/t15-,16+,18+,19-,20+/m1/s1 SMILES (mnx) [CH2:1]=[C:13]([CH3:2])[C@H:15]1[CH2:12][C:17](=[O:21])[C@:19]2([CH3:4])[CH2:10]/[CH:8]=[C:14](/[CH3:3])[CH2:6][CH2:7][C@H:18]3[C@:20]([CH3:5])([CH2:11][CH2:9][C@@H:16]12)[O:22]3

Parent-child relations graph

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