(11S,16S)-7-oxo-ent-kauran-11,16-epoxy-19-oate

Properties Image MNX_ID MNXM1132434 reference metacycM:CPD-23576 formula C20H27O4 global charge -1 mol weight 331.432 InChIKey LITNBQGSTRVRCO-DFNCATSHSA-M InChI InChI=1S/C20H28O4/c1-17-5-4-6-18(2,16(22)23)13(17)8-15(21)20-9-11-12(7-14(17)20)24-19(11,3)10-20/h11-14H,4-10H2,1-3H3,(H,22,23)/p-1/t11-,12?,13-,14-,17+,18+,19?,20+/m0/s1 SMILES CC12C[C@]34C[C@H]1C(C[C@H]3[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC4=O)O2 MNX internals InChI (mnx) InChI=1/C20H28O4/c1-17-5-4-6-18(2,16(22)23)13(17)8-15(21)20-9-11-12(7-14(17)20)24-19(11,3)10-20/h11-14H,4-10H2,1-3H3,(H,22,23)/t11-,12?,13-,14-,17+,18+,19?,20+/m0/s1 SMILES (mnx) [CH3:1][C@@:17]12[CH2:5][CH2:4][CH2:6][C@@:18]([CH3:2])([C:16](=[O:22])[OH:23])[C@H:13]1[CH2:8][C:15](=[O:21])[C@@:20]13[CH2:9][C@H:11]4[CH:12]([CH2:7][C@@H:14]21)[O:24][C:19]4([CH3:3])[CH2:10]3

Parent-child relations graph

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