(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-15-acetoxy-5,6-epoxylathyr-12-en-3-ol-14-one

Properties Image MNX_ID MNXM100806 reference chebi:67689 formula C22H32O5 global charge 0 mol weight 376.493 InChIKey WOQBUFGEWLXSNN-YCYMDWBLSA-N InChI InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1 SMILES CC(=O)O[C@]12C[C@H](C)[C@H](O)[C@@H]1[C@H]1O[C@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C MNX internals InChI (mnx) InChI=1/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1 SMILES (mnx) [CH3:1]/[C:11]1=[CH:9]\[C@@H:15]2[C@H:14]([CH2:7][CH2:8][C@:21]3([CH3:6])[C@@H:19]([C@H:16]4[C@@H:17]([OH:24])[C@@H:12]([CH3:2])[CH2:10][C@:22]4([O:26][C:13]([CH3:3])=[O:23])[C:18]1=[O:25])[O:27]3)[C:20]2([CH3:4])[CH3:5]

Parent-child relations graph

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